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

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)-naphthalen-2-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(2-naphthyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(2-naphthalenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-naphthalen-2-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(2-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=CC3=CC=CC=C3C=C2)N4CCCC(C4)C(=O)O)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(C2=CC3=CC=CC=C3C=C2)N4CCCC(C4)C(=O)O)Br)OC

InChI

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