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

Systemtic Name: 1-[(2-bromophenyl)-thiophen-3-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2-bromophenyl)-(3-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2-bromophenyl)-(3-thiophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromophenyl)-thiophen-3-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2-bromophenyl)-(3-thienyl)methyl]nipecotic acid Formula: C17H18BrNO2S MolecularWeight: 380.29932

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CSC=C2)C3=CC=CC=C3Br)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CSC=C2)C3=CC=CC=C3Br)C(=O)O

InChI

InChI=1S/C17H18BrNO2S/c18-15-6-2-1-5-14(15)16(13-7-9-22-11-13)19-8-3-4-12(10-19)17(20)21/h1-2,5-7,9,11-12,16H,3-4,8,10H2,(H,20,21)