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

Systemtic Name: 1-[(Z)-4-(3-bromanylthiophen-2-yl)-4-(2-methylphenyl)but-3-enyl]piperidine-3-carboxylic acid Openeye Name: 1-[(Z)-4-(3-bromo-2-thienyl)-4-(o-tolyl)but-3-enyl]piperidine-3-carboxylic acid CAS Name: 1-[(Z)-4-(3-bromo-2-thiophenyl)-4-(2-methylphenyl)but-3-enyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(Z)-4-(3-bromothiophen-2-yl)-4-(2-methylphenyl)but-3-enyl]piperidine-3-carboxylic acid Traditional Name: 1-[(Z)-4-(3-bromo-2-thienyl)-4-(o-tolyl)but-3-enyl]nipecotic acid Formula: C21H24BrNO2S MolecularWeight: 434.38976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=CCCN2CCCC(C2)C(=O)O)C3=C(C=CS3)Br

Isomeric SMILES

CC1=CC=CC=C1/C(=C/CCN2CCCC(C2)C(=O)O)/C3=C(C=CS3)Br

InChI

InChI=1S/C21H24BrNO2S/c1-15-6-2-3-8-17(15)18(20-19(22)10-13-26-20)9-5-12-23-11-4-7-16(14-23)21(24)25/h2-3,6,8-10,13,16H,4-5,7,11-12,14H2,1H3,(H,24,25)/b18-9-