1-[(2-bromanyl-4,5-dimethoxy-phenyl)-naphthalen-1-yl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)-naphthalen-1-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(1-naphthyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(1-naphthalenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-naphthalen-1-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(1-naphthyl)methyl]nipecotic acid Formula: C25H26BrNO4 MolecularWeight: 484.38224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(C2=CC=CC3=CC=CC=C32)N4CCCC(C4)C(=O)O)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(C2=CC=CC3=CC=CC=C32)N4CCCC(C4)C(=O)O)Br)OC

InChI

InChI=1S/C25H26BrNO4/c1-30-22-13-20(21(26)14-23(22)31-2)24(27-12-6-9-17(15-27)25(28)29)19-11-5-8-16-7-3-4-10-18(16)19/h3-5,7-8,10-11,13-14,17,24H,6,9,12,15H2,1-2H3,(H,28,29)