[2-(3,4-dimethylphenyl)-2-oxidanylidene-1-phenyl-ethyl] 4-methyl-3-(propanoylamino)benzoate

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-1-phenyl-ethyl] 4-methyl-3-(propanoylamino)benzoate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-1-phenyl-ethyl] 4-methyl-3-(propanoylamino)benzoate CAS Name: 4-methyl-3-(1-oxopropylamino)benzoic acid [2-(3,4-dimethylphenyl)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxo-1-phenylethyl] 4-methyl-3-(propanoylamino)benzoate Traditional Name: 4-methyl-3-propionamido-benzoic acid [2-(3,4-dimethylphenyl)-2-keto-1-phenyl-ethyl] ester Formula: C27H27NO4 MolecularWeight: 429.50758

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=CC(=C1)C(=O)OC(C2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)C)C)C

Isomeric SMILES

CCC(=O)NC1=C(C=CC(=C1)C(=O)OC(C2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)C)C)C

InChI

InChI=1S/C27H27NO4/c1-5-24(29)28-23-16-22(14-12-18(23)3)27(31)32-26(20-9-7-6-8-10-20)25(30)21-13-11-17(2)19(4)15-21/h6-16,26H,5H2,1-4H3,(H,28,29)