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

Systemtic Name: 3-phenylpropyl 4-[[3-(butanoylamino)phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[3-(butanoylamino)anilino]-4-oxo-butanoate CAS Name: 4-oxo-4-[3-(1-oxobutylamino)anilino]butanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[3-(butanoylamino)anilino]-4-oxobutanoate Traditional Name: 4-(3-butyramidoanilino)-4-keto-butyric acid 3-phenylpropyl ester Formula: C23H28N2O4 MolecularWeight: 396.47942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O4/c1-2-8-21(26)24-19-12-6-13-20(17-19)25-22(27)14-15-23(28)29-16-7-11-18-9-4-3-5-10-18/h3-6,9-10,12-13,17H,2,7-8,11,14-16H2,1H3,(H,24,26)(H,25,27)