1-[(3-chlorophenyl)-thiophen-2-yl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3-chlorophenyl)-thiophen-2-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-chlorophenyl)-(2-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-chlorophenyl)-thiophen-2-ylmethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-chlorophenyl)-thiophen-2-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-chlorophenyl)-(2-thienyl)methyl]nipecotic acid Formula: C17H18ClNO2S MolecularWeight: 335.84832

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC(=CC=C2)Cl)C3=CC=CS3)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC(=CC=C2)Cl)C3=CC=CS3)C(=O)O

InChI

InChI=1S/C17H18ClNO2S/c18-14-6-1-4-12(10-14)16(15-7-3-9-22-15)19-8-2-5-13(11-19)17(20)21/h1,3-4,6-7,9-10,13,16H,2,5,8,11H2,(H,20,21)