1-[(5-bromanylthiophen-2-yl)-phenyl-methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-phenyl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-bromo-2-thienyl)-phenyl-methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-phenylmethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-phenylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-bromo-2-thienyl)-phenyl-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)C3=CC=C(S3)Br

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC=CC=C2)C3=CC=C(S3)Br

InChI

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