3-phenylpropyl 4-[[2-methyl-3-(propanoylamino)phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-[[2-methyl-3-(propanoylamino)phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[2-methyl-3-(propanoylamino)anilino]-4-oxo-butanoate CAS Name: 4-[2-methyl-3-(1-oxopropylamino)anilino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[2-methyl-3-(propanoylamino)anilino]-4-oxobutanoate Traditional Name: 4-keto-4-(2-methyl-3-propionamido-anilino)butyric acid 3-phenylpropyl ester Formula: C23H28N2O4 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C(=CC=C1)NC(=O)CCC(=O)OCCCC2=CC=CC=C2)C

Isomeric SMILES

CCC(=O)NC1=C(C(=CC=C1)NC(=O)CCC(=O)OCCCC2=CC=CC=C2)C

InChI

InChI=1S/C23H28N2O4/c1-3-21(26)24-19-12-7-13-20(17(19)2)25-22(27)14-15-23(28)29-16-8-11-18-9-5-4-6-10-18/h4-7,9-10,12-13H,3,8,11,14-16H2,1-2H3,(H,24,26)(H,25,27)