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

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)-(5-methylpyridin-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)-(5-methyl-2-pyridyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-bromo-2-methoxyphenyl)-(5-methyl-2-pyridinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)-(5-methylpyridin-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-bromo-2-methoxy-phenyl)-(5-methyl-2-pyridyl)methyl]nipecotic 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)N3CCCC(C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H23BrN2O3/c1-13-5-7-17(22-11-13)19(16-10-15(21)6-8-18(16)26-2)23-9-3-4-14(12-23)20(24)25/h5-8,10-11,14,19H,3-4,9,12H2,1-2H3,(H,24,25)