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

Systemtic Name: 1-[(3-bromophenyl)-thiophen-3-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-bromophenyl)-(3-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-bromophenyl)-(3-thiophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-bromophenyl)-thiophen-3-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-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(=CC=C2)Br)C3=CSC=C3

Isomeric SMILES

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

InChI

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