1-[(E)-4-(2-methylphenyl)-4-pyridin-3-yl-but-2-enyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(E)-4-(2-methylphenyl)-4-pyridin-3-yl-but-2-enyl]piperidine-3-carboxylic acid Openeye Name: 1-[(E)-4-(o-tolyl)-4-(3-pyridyl)but-2-enyl]piperidine-3-carboxylic acid CAS Name: 1-[(E)-4-(2-methylphenyl)-4-(3-pyridinyl)but-2-enyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(E)-4-(2-methylphenyl)-4-pyridin-3-ylbut-2-enyl]piperidine-3-carboxylic acid Traditional Name: 1-[(E)-4-(o-tolyl)-4-(3-pyridyl)but-2-enyl]nipecotic acid Formula: C22H26N2O2 MolecularWeight: 350.45404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C=CCN2CCCC(C2)C(=O)O)C3=CN=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C(/C=C/CN2CCCC(C2)C(=O)O)C3=CN=CC=C3

InChI

InChI=1S/C22H26N2O2/c1-17-7-2-3-10-20(17)21(18-8-4-12-23-15-18)11-6-14-24-13-5-9-19(16-24)22(25)26/h2-4,6-8,10-12,15,19,21H,5,9,13-14,16H2,1H3,(H,25,26)/b11-6+