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

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-naphthalen-2-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-bromo-2-thienyl)-(2-naphthyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-(2-naphthalenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-naphthalen-2-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-bromo-2-thienyl)-(2-naphthyl)methyl]isonipecotic acid Formula: C21H20BrNO2S MolecularWeight: 430.358

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC3=CC=CC=C3C=C2)C4=CC=C(S4)Br

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC3=CC=CC=C3C=C2)C4=CC=C(S4)Br

InChI

InChI=1S/C21H20BrNO2S/c22-19-8-7-18(26-19)20(23-11-9-15(10-12-23)21(24)25)17-6-5-14-3-1-2-4-16(14)13-17/h1-8,13,15,20H,9-12H2,(H,24,25)