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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=CCCN2CCCC(C2)C(=O)O)C3=CC=NC=C3

Isomeric SMILES

CC1=CC=CC=C1/C(=C/CCN2CCCC(C2)C(=O)O)/C3=CC=NC=C3

InChI

InChI=1S/C22H26N2O2/c1-17-6-2-3-8-20(17)21(18-10-12-23-13-11-18)9-5-15-24-14-4-7-19(16-24)22(25)26/h2-3,6,8-13,19H,4-5,7,14-16H2,1H3,(H,25,26)/b21-9+