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

Systemtic Name: 1-[(3,4-dichlorophenyl)-thiophen-3-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3,4-dichlorophenyl)-(3-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3,4-dichlorophenyl)-(3-thiophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-dichlorophenyl)-thiophen-3-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3,4-dichlorophenyl)-(3-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=CSC=C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H17Cl2NO2S/c18-14-4-3-11(8-15(14)19)16(13-5-7-23-10-13)20-6-1-2-12(9-20)17(21)22/h3-5,7-8,10,12,16H,1-2,6,9H2,(H,21,22)