1-[(3-fluoranyl-4-methoxy-phenyl)-(5-methylpyridin-2-yl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3-fluoranyl-4-methoxy-phenyl)-(5-methylpyridin-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-fluoro-4-methoxy-phenyl)-(5-methyl-2-pyridyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-fluoro-4-methoxyphenyl)-(5-methyl-2-pyridinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-fluoro-4-methoxyphenyl)-(5-methylpyridin-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-fluoro-4-methoxy-phenyl)-(5-methyl-2-pyridyl)methyl]nipecotic acid Formula: C20H23FN2O3 MolecularWeight: 358.406623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23FN2O3/c1-13-5-7-17(22-11-13)19(14-6-8-18(26-2)16(21)10-14)23-9-3-4-15(12-23)20(24)25/h5-8,10-11,15,19H,3-4,9,12H2,1-2H3,(H,24,25)