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

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)-(5-methylpyridin-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)-(5-methyl-2-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-bromo-2-methoxyphenyl)-(5-methyl-2-pyridinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)-(5-methylpyridin-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-bromo-2-methoxy-phenyl)-(5-methyl-2-pyridyl)methyl]isonipecotic acid Formula: C20H23BrN2O3 MolecularWeight: 419.31222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)C(C2=C(C=CC(=C2)Br)OC)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CN=C(C=C1)C(C2=C(C=CC(=C2)Br)OC)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C20H23BrN2O3/c1-13-3-5-17(22-12-13)19(16-11-15(21)4-6-18(16)26-2)23-9-7-14(8-10-23)20(24)25/h3-6,11-12,14,19H,7-10H2,1-2H3,(H,24,25)