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

Systemtic Name: 1-[(Z)-4-(4-fluorophenyl)-4-(1-methylpyrrol-2-yl)but-3-enyl]piperidine-3-carboxylic acid Openeye Name: 1-[(Z)-4-(4-fluorophenyl)-4-(1-methylpyrrol-2-yl)but-3-enyl]piperidine-3-carboxylic acid CAS Name: 1-[(Z)-4-(4-fluorophenyl)-4-(1-methyl-2-pyrrolyl)but-3-enyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(Z)-4-(4-fluorophenyl)-4-(1-methylpyrrol-2-yl)but-3-enyl]piperidine-3-carboxylic acid Traditional Name: 1-[(Z)-4-(4-fluorophenyl)-4-(1-methylpyrrol-2-yl)but-3-enyl]nipecotic acid Formula: C21H25FN2O2 MolecularWeight: 356.433803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25FN2O2/c1-23-12-4-7-20(23)19(16-8-10-18(22)11-9-16)6-3-14-24-13-2-5-17(15-24)21(25)26/h4,6-12,17H,2-3,5,13-15H2,1H3,(H,25,26)/b19-6-