[2-[4-(3-acetamidopropyl)phenyl]-2-oxidanylidene-ethyl] 3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxidanylidene-ethyl] 3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxo-ethyl] 3-methylbenzofuran-2-carboxylate CAS Name: 3-methyl-2-benzofurancarboxylic acid [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate Traditional Name: 3-methylcoumarilic acid [2-[4-(3-acetamidopropyl)phenyl]-2-keto-ethyl] ester Formula: C23H23NO5 MolecularWeight: 393.43242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)OCC(=O)C3=CC=C(C=C3)CCCNC(=O)C

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)OCC(=O)C3=CC=C(C=C3)CCCNC(=O)C

InChI

InChI=1S/C23H23NO5/c1-15-19-7-3-4-8-21(19)29-22(15)23(27)28-14-20(26)18-11-9-17(10-12-18)6-5-13-24-16(2)25/h3-4,7-12H,5-6,13-14H2,1-2H3,(H,24,25)