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

Systemtic Name: 1-[(3-bromophenyl)-thiophen-2-yl-methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(3-bromophenyl)-(2-thienyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3-bromophenyl)-thiophen-2-ylmethyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3-bromophenyl)-thiophen-2-ylmethyl]piperidine-2-carboxylic acid Traditional Name: 1-[(3-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(=CC=C2)Br)C3=CC=CS3

Isomeric SMILES

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

InChI

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