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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC3=CC=CC=C3C=C2)C4=CC=C(S4)Br)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC3=CC=CC=C3C=C2)C4=CC=C(S4)Br)C(=O)O

InChI

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