324094 <common-name>[(2e)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethyl] 2-hydroxy-3-methyl-2-phenylbutanoate</common-name> <description>[(2e)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethyl] 2-hydroxy-3-methyl-2-phenylbutanoate is a chemical compound with the formula C20H27NO3. It has an average molecular weight of 329.40 g/mol.</description> <cas>93101-82-7</cas> <pubchem-id>6435521</pubchem-id> <chemical-formula>C20H27NO3</chemical-formula> <weight>329.4</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-08-30T01:02:17Z</created-at> <updated-at type="dateTime">2026-08-30T01:02:17Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CC(C)C(C1=CC=CC=C1)(C(=O)OCC=C2CN3CCC2CC3)O</moldb-smiles> <moldb-formula>C20H27NO3</moldb-formula> <moldb-inchi>InChI=1S/C20H27NO3/c1-15(2)20(23,18-6-4-3-5-7-18)19(22)24-13-10-17-14-21-11-8-16(17)9-12-21/h3-7,10,15-16,23H,8-9,11-14H2,1-2H3/b17-10-</moldb-inchi> <moldb-inchikey>SIFVEGNIPNJYIA-YVLHZVERSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">329.1990937</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.6</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM319987</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>[(2e)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethyl] 2-hydroxy-3-methyl-2-phenylbutanoate</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Phenylpropanes</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0274754</sync-id> <structure-inchikey>SIFVEGNIPNJYIA-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000200800000002000000012000000000000000000010000000000001000000000000000000000000004000000000000000001000200080000000000000000000000000000000000000020000000000300000000000000000020040000210000000000000000000000000040020100000000000200000000100000000040000000800000000000000000000000000100001000000000010000000000000004000000000000080000000040004000000000408000000000000000000000140000000000000000000000000000000000000000000200200000000000000000001000000040000000080400000020100000000000800040000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAYAAAAGgAAAIABBgBgAAAAAQMGAGAAAAAD AQYAYAAAAAEDBgAgAAAABAZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkBo AAAAAwMBBkBoAAAAAwMBBkBoAAAAAwMBBgAoAAAAAwQIACgAAAADAggAKAAA AAMCBgBgAAAAAgIGAGgAAAADAwEGACgAAAADBAYAYAAAAAICBwAgAAAAAwYA YAAAAAICBgBgAAAAAgIGAGAAAAADAQYAYAAAAAICBgBgAAAAAgIIAGAAAAAB AQsAAQABAgABAwADBAAEBWgMBQZoDAYHaAwHCGgMCAloDAMKAAoLKAIKDCAM DQANDgAODwgCDxAAEBEAERIAEhMAExQAFBUAFRYAAxcACQRoDBQPABYRAEIE AAAABgUGBwgJBAYQERITFA8GEBEWFRQPBhITFBUWERcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:28:22Z</structure-indexed-at> </compound>