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

Systemtic Name: 1-[(Z)-4-(2-fluorophenyl)-4-(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid Openeye Name: 1-[(Z)-4-(2-fluorophenyl)-4-(3-methyl-2-thienyl)but-3-enyl]piperidine-3-carboxylic acid CAS Name: 1-[(Z)-4-(2-fluorophenyl)-4-(3-methyl-2-thiophenyl)but-3-enyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(Z)-4-(2-fluorophenyl)-4-(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid Traditional Name: 1-[(Z)-4-(2-fluorophenyl)-4-(3-methyl-2-thienyl)but-3-enyl]nipecotic acid Formula: C21H24FNO2S MolecularWeight: 373.484163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=CCCN2CCCC(C2)C(=O)O)C3=CC=CC=C3F

Isomeric SMILES

CC1=C(SC=C1)/C(=C\CCN2CCCC(C2)C(=O)O)/C3=CC=CC=C3F

InChI

InChI=1S/C21H24FNO2S/c1-15-10-13-26-20(15)18(17-7-2-3-9-19(17)22)8-5-12-23-11-4-6-16(14-23)21(24)25/h2-3,7-10,13,16H,4-6,11-12,14H2,1H3,(H,24,25)/b18-8-