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

Systemtic Name: 1-[(Z)-4-(3-chlorophenyl)-4-(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid Openeye Name: 1-[(Z)-4-(3-chlorophenyl)-4-(3-methyl-2-thienyl)but-3-enyl]piperidine-3-carboxylic acid CAS Name: 1-[(Z)-4-(3-chlorophenyl)-4-(3-methyl-2-thiophenyl)but-3-enyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(Z)-4-(3-chlorophenyl)-4-(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid Traditional Name: 1-[(Z)-4-(3-chlorophenyl)-4-(3-methyl-2-thienyl)but-3-enyl]nipecotic acid Formula: C21H24ClNO2S MolecularWeight: 389.93876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClNO2S/c1-15-9-12-26-20(15)19(16-5-2-7-18(22)13-16)8-4-11-23-10-3-6-17(14-23)21(24)25/h2,5,7-9,12-13,17H,3-4,6,10-11,14H2,1H3,(H,24,25)/b19-8-