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

Systemtic Name: 1-[(Z)-4-(2-ethylphenyl)-4-(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid Openeye Name: 1-[(Z)-4-(2-ethylphenyl)-4-(3-methyl-2-thienyl)but-3-enyl]piperidine-3-carboxylic acid CAS Name: 1-[(Z)-4-(2-ethylphenyl)-4-(3-methyl-2-thiophenyl)but-3-enyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(Z)-4-(2-ethylphenyl)-4-(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid Traditional Name: 1-[(Z)-4-(2-ethylphenyl)-4-(3-methyl-2-thienyl)but-3-enyl]nipecotic acid Formula: C23H29NO2S MolecularWeight: 383.54686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C(=CCCN2CCCC(C2)C(=O)O)C3=C(C=CS3)C

Isomeric SMILES

CCC1=CC=CC=C1/C(=C/CCN2CCCC(C2)C(=O)O)/C3=C(C=CS3)C

InChI

InChI=1S/C23H29NO2S/c1-3-18-8-4-5-10-20(18)21(22-17(2)12-15-27-22)11-7-14-24-13-6-9-19(16-24)23(25)26/h4-5,8,10-12,15,19H,3,6-7,9,13-14,16H2,1-2H3,(H,25,26)/b21-11-