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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=CC(=CC=C2)Br)C3=CSC=C3

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC(=CC=C2)Br)C3=CSC=C3

InChI

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