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

Systemtic Name: 1-[(4-bromophenyl)-thiophen-3-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-bromophenyl)-(3-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-bromophenyl)-(3-thiophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-bromophenyl)-thiophen-3-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-bromophenyl)-(3-thienyl)methyl]nipecotic acid Formula: C17H18BrNO2S MolecularWeight: 380.29932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrNO2S/c18-15-5-3-12(4-6-15)16(14-7-9-22-11-14)19-8-1-2-13(10-19)17(20)21/h3-7,9,11,13,16H,1-2,8,10H2,(H,20,21)