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

Systemtic Name: phenethyl 4-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[2-[(3,4-dimethylphenyl)carbamoyl]anilino]-4-oxo-butanoate CAS Name: 4-[2-[(3,4-dimethylanilino)-oxomethyl]anilino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[2-[(3,4-dimethylphenyl)carbamoyl]anilino]-4-oxobutanoate Traditional Name: 4-[2-[(3,4-dimethylphenyl)carbamoyl]anilino]-4-keto-butyric acid phenethyl ester Formula: C27H28N2O4 MolecularWeight: 444.52222

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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)OCCC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)CCC(=O)OCCC3=CC=CC=C3)C

InChI

InChI=1S/C27H28N2O4/c1-19-12-13-22(18-20(19)2)28-27(32)23-10-6-7-11-24(23)29-25(30)14-15-26(31)33-17-16-21-8-4-3-5-9-21/h3-13,18H,14-17H2,1-2H3,(H,28,32)(H,29,30)