1-[(3,4-dichlorophenyl)-thiophen-2-yl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3,4-dichlorophenyl)-thiophen-2-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3,4-dichlorophenyl)-(2-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3,4-dichlorophenyl)-thiophen-2-ylmethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-dichlorophenyl)-thiophen-2-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3,4-dichlorophenyl)-(2-thienyl)methyl]nipecotic acid Formula: C17H17Cl2NO2S MolecularWeight: 370.29338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17Cl2NO2S/c18-13-6-5-11(9-14(13)19)16(15-4-2-8-23-15)20-7-1-3-12(10-20)17(21)22/h2,4-6,8-9,12,16H,1,3,7,10H2,(H,21,22)