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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)C(C2=CC(=C(C=C2Br)OC)OC)N3CCCCC3C(=O)O

Isomeric SMILES

CC1=CN=C(C=C1)C(C2=CC(=C(C=C2Br)OC)OC)N3CCCCC3C(=O)O

InChI

InChI=1S/C21H25BrN2O4/c1-13-7-8-16(23-12-13)20(24-9-5-4-6-17(24)21(25)26)14-10-18(27-2)19(28-3)11-15(14)22/h7-8,10-12,17,20H,4-6,9H2,1-3H3,(H,25,26)