ethyl 1-(3-pyrrol-1-ylphenyl)carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-(3-pyrrol-1-ylphenyl)carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-(3-pyrrol-1-ylbenzoyl)piperidine-3-carboxylate CAS Name: 1-[oxo-[3-(1-pyrrolyl)phenyl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-pyrrol-1-ylbenzoyl)piperidine-3-carboxylate Traditional Name: 1-(3-pyrrol-1-ylbenzoyl)nipecotic acid ethyl ester Formula: C19H22N2O3 MolecularWeight: 326.38958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=CC=C2)N3C=CC=C3

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=CC=C2)N3C=CC=C3

InChI

InChI=1S/C19H22N2O3/c1-2-24-19(23)16-8-6-12-21(14-16)18(22)15-7-5-9-17(13-15)20-10-3-4-11-20/h3-5,7,9-11,13,16H,2,6,8,12,14H2,1H3