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

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)-(5-methylpyridin-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(5-methyl-2-pyridyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(5-methyl-2-pyridinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(5-methylpyridin-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(5-methyl-2-pyridyl)methyl]nipecotic acid Formula: C21H25BrN2O4 MolecularWeight: 449.3382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)C(C2=CC(=C(C=C2Br)OC)OC)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=CN=C(C=C1)C(C2=CC(=C(C=C2Br)OC)OC)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C21H25BrN2O4/c1-13-6-7-17(23-11-13)20(24-8-4-5-14(12-24)21(25)26)15-9-18(27-2)19(28-3)10-16(15)22/h6-7,9-11,14,20H,4-5,8,12H2,1-3H3,(H,25,26)