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

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)-pyridin-3-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(3-pyridyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(3-pyridinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-pyridin-3-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(3-pyridyl)methyl]nipecotic 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)N3CCCC(C3)C(=O)O)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(C2=CN=CC=C2)N3CCCC(C3)C(=O)O)Br)OC

InChI

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