[2-[4-(4-methylphenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 3-(2-methylpropanoylamino)benzoate

Systemtic Name: [2-[4-(4-methylphenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 3-(2-methylpropanoylamino)benzoate Openeye Name: [2-[4-(4-methylbenzoyl)oxyphenyl]-2-oxo-ethyl] 3-(2-methylpropanoylamino)benzoate CAS Name: 3-[(2-methyl-1-oxopropyl)amino]benzoic acid [2-[4-[(4-methylphenyl)-oxomethoxy]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methylbenzoyl)oxyphenyl]-2-oxoethyl] 3-(2-methylpropanoylamino)benzoate Traditional Name: 3-(isobutyrylamino)benzoic acid [2-keto-2-(4-p-toluoyloxyphenyl)ethyl] ester Formula: C27H25NO6 MolecularWeight: 459.4905

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)COC(=O)C3=CC(=CC=C3)NC(=O)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)COC(=O)C3=CC(=CC=C3)NC(=O)C(C)C

InChI

InChI=1S/C27H25NO6/c1-17(2)25(30)28-22-6-4-5-21(15-22)26(31)33-16-24(29)19-11-13-23(14-12-19)34-27(32)20-9-7-18(3)8-10-20/h4-15,17H,16H2,1-3H3,(H,28,30)