330947 <common-name>Methyl 3-[2-[(2,2-dimethyl-3h-1-benzofuran-7-yl)oxycarbonyl-methylamino]-2-oxoacetyl]oxybenzoate</common-name> <description>Methyl 3-[2-[(2,2-dimethyl-3h-1-benzofuran-7-yl)oxycarbonyl-methylamino]-2-oxoacetyl]oxybenzoate is a chemical compound with the formula C22H21NO8. It has an average molecular weight of 427.40 g/mol.</description> <cas>105315-52-4</cas> <pubchem-id>3064692</pubchem-id> <chemical-formula>C22H21NO8</chemical-formula> <weight>427.4</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">2026-08-30T11:39:03Z</created-at> <updated-at type="dateTime">2026-08-30T11:39:03Z</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>CC1(CC2=C(O1)C(=CC=C2)OC(=O)N(C)C(=O)C(=O)OC3=CC=CC(=C3)C(=O)OC)C</moldb-smiles> <moldb-formula>C22H21NO8</moldb-formula> <moldb-inchi>InChI=1S/C22H21NO8/c1-22(2)12-14-8-6-10-16(17(14)31-22)30-21(27)23(3)18(24)20(26)29-15-9-5-7-13(11-15)19(25)28-4/h5-11H,12H2,1-4H3</moldb-inchi> <moldb-inchikey>MGNWAWMIPNHTHV-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">427.1267166</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.2</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>CHEM326840</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>Methyl 3-[2-[(2,2-dimethyl-3h-1-benzofuran-7-yl)oxycarbonyl-methylamino]-2-oxoacetyl]oxybenzoate</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>Benzoic acids and derivatives</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0281489</sync-id> <structure-inchikey>MGNWAWMIPNHTHV-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>100000000000000004000000000000000000000000010000000000000000020000004000000000000000000000040000004000000000000000000001020000000000000000000002088000000810000000000000000000000080001000000004000000010400000200002000800000000000000000000000100004800000080000000000000008010000000000000000008000001002020020000002000000000000008c000002000000000000000002000800000000000000000000004000040000000000010000000000008100040400200000000000000000000000000000040000000000400000000000020004000080000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ��������������������!���€���`������� ������`������@(������@(�������(������@(������@h�������@h�������@h��������(�������(�������(�������(�������`�������(�������(�������(�������(�������(������@(������@h�������@h�������@h�������@(������@h��������(�������(�������(�������`�������`�����������������h��� ��h���h���h�� h�� � ��(�� �� � ��(��� ��(��� �� ��h���h���h���h���h��� ��(��� ��������� �h���h�B������������� ��������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:33:22Z</structure-indexed-at> </compound>