1-[(5-bromanylthiophen-2-yl)-phenyl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-phenyl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-bromo-2-thienyl)-phenyl-methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-phenylmethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-phenylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-bromo-2-thienyl)-phenyl-methyl]nipecotic acid Formula: C17H18BrNO2S MolecularWeight: 380.29932

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC=CC=C2)C3=CC=C(S3)Br)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC=CC=C2)C3=CC=C(S3)Br)C(=O)O

InChI

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