346327 <common-name>[4-[(2s)-2-cyano-2-[(4-methoxyphenyl)methoxycarbonylamino]ethyl]phenyl] (4-methoxyphenyl)methyl carbonate</common-name> <description>[4-[(2s)-2-cyano-2-[(4-methoxyphenyl)methoxycarbonylamino]ethyl]phenyl] (4-methoxyphenyl)methyl carbonate is a chemical compound with the formula C27H26N2O7. It has an average molecular weight of 490.50 g/mol.</description> <cas nil="true"/> <pubchem-id>16212376</pubchem-id> <chemical-formula>C27H26N2O7</chemical-formula> <weight>490.5</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">2026-08-31T09:44:13Z</created-at> <updated-at type="dateTime">2026-08-31T09:44:13Z</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>COC1=CC=C(C=C1)COC(=O)NC(CC2=CC=C(C=C2)OC(=O)OCC3=CC=C(C=C3)OC)C#N</moldb-smiles> <moldb-formula>C27H26N2O7</moldb-formula> <moldb-inchi>InChI=1S/C27H26N2O7/c1-32-23-9-5-20(6-10-23)17-34-26(30)29-22(16-28)15-19-3-13-25(14-4-19)36-27(31)35-18-21-7-11-24(33-2)12-8-21/h3-14,22H,15,17-18H2,1-2H3,(H,29,30)/t22-/m0/s1</moldb-inchi> <moldb-inchikey>IEWDJSXKLMDHDC-QFIPXVFZSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">490.1740012</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.8</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>CHEM342220</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>[4-[(2s)-2-cyano-2-[(4-methoxyphenyl)methoxycarbonylamino]ethyl]phenyl] (4-methoxyphenyl)methyl carbonate</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>Phenethylamines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0296680</sync-id> <structure-inchikey>IEWDJSXKLMDHDC-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40200000000000000001800000000400000010000000000000000000000004000000000000000200200000000000000000000000000000000000000000000000000000000000004000000000400000000020000020000100000200000040000000048200010000010040004000000000004000000000000000000000000000000000000048000000000000000000000080000000000000000000000000020000000000000000000000000040088000000000000002000000000000010000000080000000000000000000000000000000000000000000000040000222000000000000000000000000400040000000002400000000000000000200000000000020</structure-fingerprint> 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