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

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-naphthalen-1-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-bromo-2-thienyl)-(1-naphthyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-(1-naphthalenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-naphthalen-1-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-bromo-2-thienyl)-(1-naphthyl)methyl]nipecotic acid Formula: C21H20BrNO2S MolecularWeight: 430.358

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC=CC3=CC=CC=C32)C4=CC=C(S4)Br)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC=CC3=CC=CC=C32)C4=CC=C(S4)Br)C(=O)O

InChI

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