ethyl 1-(4-methyl-3-pyrrol-1-yl-phenyl)carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-(4-methyl-3-pyrrol-1-yl-phenyl)carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-(4-methyl-3-pyrrol-1-yl-benzoyl)piperidine-3-carboxylate CAS Name: 1-[[4-methyl-3-(1-pyrrolyl)phenyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-methyl-3-pyrrol-1-ylbenzoyl)piperidine-3-carboxylate Traditional Name: 1-(4-methyl-3-pyrrol-1-yl-benzoyl)nipecotic acid ethyl ester Formula: C20H24N2O3 MolecularWeight: 340.41616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O3/c1-3-25-20(24)17-7-6-12-22(14-17)19(23)16-9-8-15(2)18(13-16)21-10-4-5-11-21/h4-5,8-11,13,17H,3,6-7,12,14H2,1-2H3