1-[(E)-4-cyclohexyl-4-phenyl-but-3-enyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(E)-4-cyclohexyl-4-phenyl-but-3-enyl]piperidine-3-carboxylic acid Openeye Name: 1-[(E)-4-cyclohexyl-4-phenyl-but-3-enyl]piperidine-3-carboxylic acid CAS Name: 1-[(E)-4-cyclohexyl-4-phenylbut-3-enyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(E)-4-cyclohexyl-4-phenylbut-3-enyl]piperidine-3-carboxylic acid Traditional Name: 1-[(E)-4-cyclohexyl-4-phenyl-but-3-enyl]nipecotic acid Formula: C22H31NO2 MolecularWeight: 341.48704

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=CCCN2CCCC(C2)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)/C(=C\CCN2CCCC(C2)C(=O)O)/C3=CC=CC=C3

InChI

InChI=1S/C22H31NO2/c24-22(25)20-13-7-15-23(17-20)16-8-14-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1,3-4,9-10,14,19-20H,2,5-8,11-13,15-17H2,(H,24,25)/b21-14-