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

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)-pyridin-3-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(3-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(3-pyridinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-pyridin-3-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(3-pyridyl)methyl]isonipecotic acid Formula: C20H23BrN2O4 MolecularWeight: 435.31162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(C2=CN=CC=C2)N3CCC(CC3)C(=O)O)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(C2=CN=CC=C2)N3CCC(CC3)C(=O)O)Br)OC

InChI

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