3-phenylpropyl 4-[[3-[(3-methylphenyl)carbamoyl]phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-[[3-[(3-methylphenyl)carbamoyl]phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[3-(m-tolylcarbamoyl)anilino]-4-oxo-butanoate CAS Name: 4-[3-[(3-methylanilino)-oxomethyl]anilino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[3-[(3-methylphenyl)carbamoyl]anilino]-4-oxobutanoate Traditional Name: 4-keto-4-[3-(m-tolylcarbamoyl)anilino]butyric acid 3-phenylpropyl ester Formula: C27H28N2O4 MolecularWeight: 444.52222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O4/c1-20-8-5-13-23(18-20)29-27(32)22-12-6-14-24(19-22)28-25(30)15-16-26(31)33-17-7-11-21-9-3-2-4-10-21/h2-6,8-10,12-14,18-19H,7,11,15-17H2,1H3,(H,28,30)(H,29,32)