[2-[4-(3-acetamidopropyl)phenyl]-2-oxidanylidene-ethyl] 3-methyl-5-(3-oxidanylidenebutyl)-1-benzofuran-2-carboxylate

Systemtic Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxidanylidene-ethyl] 3-methyl-5-(3-oxidanylidenebutyl)-1-benzofuran-2-carboxylate Openeye Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxo-ethyl] 3-methyl-5-(3-oxobutyl)benzofuran-2-carboxylate CAS Name: 3-methyl-5-(3-oxobutyl)-2-benzofurancarboxylic acid [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 3-methyl-5-(3-oxobutyl)-1-benzofuran-2-carboxylate Traditional Name: 5-(3-ketobutyl)-3-methyl-coumarilic acid [2-[4-(3-acetamidopropyl)phenyl]-2-keto-ethyl] ester Formula: C27H29NO6 MolecularWeight: 463.52226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)CCC(=O)C)C(=O)OCC(=O)C3=CC=C(C=C3)CCCNC(=O)C

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)CCC(=O)C)C(=O)OCC(=O)C3=CC=C(C=C3)CCCNC(=O)C

InChI

InChI=1S/C27H29NO6/c1-17(29)6-7-21-10-13-25-23(15-21)18(2)26(34-25)27(32)33-16-24(31)22-11-8-20(9-12-22)5-4-14-28-19(3)30/h8-13,15H,4-7,14,16H2,1-3H3,(H,28,30)