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

Systemtic Name: 3-phenylpropyl 4-[[4-[methyl(phenyl)carbamoyl]phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[4-[methyl(phenyl)carbamoyl]anilino]-4-oxo-butanoate CAS Name: 4-[4-[(N-methylanilino)-oxomethyl]anilino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[4-[methyl(phenyl)carbamoyl]anilino]-4-oxobutanoate Traditional Name: 4-keto-4-[4-[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=C(C=C2)NC(=O)CCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

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

InChI

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