1-[(Z)-4-(1-methylpyrrol-2-yl)-4-phenyl-but-3-enyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(Z)-4-(1-methylpyrrol-2-yl)-4-phenyl-but-3-enyl]piperidine-3-carboxylic acid Openeye Name: 1-[(Z)-4-(1-methylpyrrol-2-yl)-4-phenyl-but-3-enyl]piperidine-3-carboxylic acid CAS Name: 1-[(Z)-4-(1-methyl-2-pyrrolyl)-4-phenylbut-3-enyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(Z)-4-(1-methylpyrrol-2-yl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid Traditional Name: 1-[(Z)-4-(1-methylpyrrol-2-yl)-4-phenyl-but-3-enyl]nipecotic acid Formula: C21H26N2O2 MolecularWeight: 338.44334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=CCCN2CCCC(C2)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CN1C=CC=C1/C(=C\CCN2CCCC(C2)C(=O)O)/C3=CC=CC=C3

InChI

InChI=1S/C21H26N2O2/c1-22-13-7-12-20(22)19(17-8-3-2-4-9-17)11-6-15-23-14-5-10-18(16-23)21(24)25/h2-4,7-9,11-13,18H,5-6,10,14-16H2,1H3,(H,24,25)/b19-11-