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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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