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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC(=C(C=C2)Cl)Cl)C3=CSC=C3

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC(=C(C=C2)Cl)Cl)C3=CSC=C3

InChI

InChI=1S/C17H17Cl2NO2S/c18-14-2-1-12(9-15(14)19)16(13-5-8-23-10-13)20-6-3-11(4-7-20)17(21)22/h1-2,5,8-11,16H,3-4,6-7H2,(H,21,22)