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

Systemtic Name: 1-[(Z)-4-(2-methylphenyl)-4-(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid Openeye Name: 1-[(Z)-4-(3-methyl-2-thienyl)-4-(o-tolyl)but-3-enyl]piperidine-3-carboxylic acid CAS Name: 1-[(Z)-4-(2-methylphenyl)-4-(3-methyl-2-thiophenyl)but-3-enyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(Z)-4-(2-methylphenyl)-4-(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid Traditional Name: 1-[(Z)-4-(3-methyl-2-thienyl)-4-(o-tolyl)but-3-enyl]nipecotic acid Formula: C22H27NO2S MolecularWeight: 369.52028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=CCCN2CCCC(C2)C(=O)O)C3=CC=CC=C3C

Isomeric SMILES

CC1=C(SC=C1)/C(=C\CCN2CCCC(C2)C(=O)O)/C3=CC=CC=C3C

InChI

InChI=1S/C22H27NO2S/c1-16-7-3-4-9-19(16)20(21-17(2)11-14-26-21)10-6-13-23-12-5-8-18(15-23)22(24)25/h3-4,7,9-11,14,18H,5-6,8,12-13,15H2,1-2H3,(H,24,25)/b20-10-