ethyl 1-[3-(propanoylamino)phenyl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[3-(propanoylamino)phenyl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[3-(propanoylamino)benzoyl]piperidine-3-carboxylate CAS Name: 1-[oxo-[3-(1-oxopropylamino)phenyl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(propanoylamino)benzoyl]piperidine-3-carboxylate Traditional Name: 1-(3-propionamidobenzoyl)nipecotic acid ethyl ester Formula: C18H24N2O4 MolecularWeight: 332.39416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=CC(=C1)C(=O)N2CCCC(C2)C(=O)OCC

Isomeric SMILES

CCC(=O)NC1=CC=CC(=C1)C(=O)N2CCCC(C2)C(=O)OCC

InChI

InChI=1S/C18H24N2O4/c1-3-16(21)19-15-9-5-7-13(11-15)17(22)20-10-6-8-14(12-20)18(23)24-4-2/h5,7,9,11,14H,3-4,6,8,10,12H2,1-2H3,(H,19,21)