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

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)-pyridin-2-yl-methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(2-pyridyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(2-pyridinyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid Traditional Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(2-pyridyl)methyl]pipecolinic acid Formula: C20H23BrN2O4 MolecularWeight: 435.31162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(C2=CC=CC=N2)N3CCCCC3C(=O)O)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(C2=CC=CC=N2)N3CCCCC3C(=O)O)Br)OC

InChI

InChI=1S/C20H23BrN2O4/c1-26-17-11-13(14(21)12-18(17)27-2)19(15-7-3-5-9-22-15)23-10-6-4-8-16(23)20(24)25/h3,5,7,9,11-12,16,19H,4,6,8,10H2,1-2H3,(H,24,25)