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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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