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

Systemtic Name: 1-[(E)-4-(3-methoxyphenyl)-4-phenyl-but-3-enyl]piperidine-3-carboxylic acid Openeye Name: 1-[(E)-4-(3-methoxyphenyl)-4-phenyl-but-3-enyl]piperidine-3-carboxylic acid CAS Name: 1-[(E)-4-(3-methoxyphenyl)-4-phenylbut-3-enyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(E)-4-(3-methoxyphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid Traditional Name: 1-[(E)-4-(3-methoxyphenyl)-4-phenyl-but-3-enyl]nipecotic acid Formula: C23H27NO3 MolecularWeight: 365.46538

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=CCCN2CCCC(C2)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1)/C(=C/CCN2CCCC(C2)C(=O)O)/C3=CC=CC=C3

InChI

InChI=1S/C23H27NO3/c1-27-21-12-5-10-19(16-21)22(18-8-3-2-4-9-18)13-7-15-24-14-6-11-20(17-24)23(25)26/h2-5,8-10,12-13,16,20H,6-7,11,14-15,17H2,1H3,(H,25,26)/b22-13+