3-phenylpropyl 5-oxidanylidene-5-[[3-(propanoylamino)phenyl]amino]pentanoate

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-[[3-(propanoylamino)phenyl]amino]pentanoate Openeye Name: 3-phenylpropyl 5-oxo-5-[3-(propanoylamino)anilino]pentanoate CAS Name: 5-oxo-5-[3-(1-oxopropylamino)anilino]pentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-oxo-5-[3-(propanoylamino)anilino]pentanoate Traditional Name: 5-keto-5-(3-propionamidoanilino)valeric acid 3-phenylpropyl ester Formula: C23H28N2O4 MolecularWeight: 396.47942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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