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

Systemtic Name: 1-[1-(2-bromanyl-4,5-dimethoxy-phenyl)-2-pyridin-2-yl-ethyl]piperidine-2-carboxylic acid Openeye Name: 1-[1-(2-bromo-4,5-dimethoxy-phenyl)-2-(2-pyridyl)ethyl]piperidine-2-carboxylic acid CAS Name: 1-[1-(2-bromo-4,5-dimethoxyphenyl)-2-(2-pyridinyl)ethyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1-(2-bromo-4,5-dimethoxyphenyl)-2-pyridin-2-ylethyl]piperidine-2-carboxylic acid Traditional Name: 1-[1-(2-bromo-4,5-dimethoxy-phenyl)-2-(2-pyridyl)ethyl]pipecolinic acid Formula: C21H25BrN2O4 MolecularWeight: 449.3382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(CC2=CC=CC=N2)N3CCCCC3C(=O)O)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(CC2=CC=CC=N2)N3CCCCC3C(=O)O)Br)OC

InChI

InChI=1S/C21H25BrN2O4/c1-27-19-12-15(16(22)13-20(19)28-2)18(11-14-7-3-5-9-23-14)24-10-6-4-8-17(24)21(25)26/h3,5,7,9,12-13,17-18H,4,6,8,10-11H2,1-2H3,(H,25,26)