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

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

Click to see the large picture

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