[2-(3,4-dimethylphenyl)-2-oxidanylidene-1-phenyl-ethyl] 4-[(4-ethylphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-1-phenyl-ethyl] 4-[(4-ethylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-1-phenyl-ethyl] 4-(4-ethylanilino)-4-oxo-butanoate CAS Name: 4-(4-ethylanilino)-4-oxobutanoic acid [2-(3,4-dimethylphenyl)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxo-1-phenylethyl] 4-(4-ethylanilino)-4-oxobutanoate Traditional Name: 4-(4-ethylanilino)-4-keto-butyric acid [2-(3,4-dimethylphenyl)-2-keto-1-phenyl-ethyl] ester Formula: C28H29NO4 MolecularWeight: 443.53416

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CCC(=O)OC(C2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)C)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CCC(=O)OC(C2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C28H29NO4/c1-4-21-11-14-24(15-12-21)29-25(30)16-17-26(31)33-28(22-8-6-5-7-9-22)27(32)23-13-10-19(2)20(3)18-23/h5-15,18,28H,4,16-17H2,1-3H3,(H,29,30)