3-phenylpropyl 4-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[2-[(3,4-dimethylphenyl)carbamoyl]anilino]-4-oxo-butanoate CAS Name: 4-[2-[(3,4-dimethylanilino)-oxomethyl]anilino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[2-[(3,4-dimethylphenyl)carbamoyl]anilino]-4-oxobutanoate Traditional Name: 4-[2-[(3,4-dimethylphenyl)carbamoyl]anilino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C28H30N2O4 MolecularWeight: 458.5488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)CCC(=O)OCCCC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)CCC(=O)OCCCC3=CC=CC=C3)C

InChI

InChI=1S/C28H30N2O4/c1-20-14-15-23(19-21(20)2)29-28(33)24-12-6-7-13-25(24)30-26(31)16-17-27(32)34-18-8-11-22-9-4-3-5-10-22/h3-7,9-10,12-15,19H,8,11,16-18H2,1-2H3,(H,29,33)(H,30,31)