1-[(4-bromophenyl)-thiophen-2-yl-methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(4-bromophenyl)-thiophen-2-yl-methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-bromophenyl)-(2-thienyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(4-bromophenyl)-thiophen-2-ylmethyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(4-bromophenyl)-thiophen-2-ylmethyl]piperidine-2-carboxylic acid Traditional Name: 1-[(4-bromophenyl)-(2-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=C(C=C2)Br)C3=CC=CS3

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC=C(C=C2)Br)C3=CC=CS3

InChI

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