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

Systemtic Name: 1-[(3-fluoranyl-4-methoxy-phenyl)-pyridin-3-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-fluoro-4-methoxy-phenyl)-(3-pyridyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-fluoro-4-methoxyphenyl)-(3-pyridinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-fluoro-4-methoxyphenyl)-pyridin-3-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-fluoro-4-methoxy-phenyl)-(3-pyridyl)methyl]nipecotic acid Formula: C19H21FN2O3 MolecularWeight: 344.380043

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C19H21FN2O3/c1-25-17-7-6-13(10-16(17)20)18(14-4-2-8-21-11-14)22-9-3-5-15(12-22)19(23)24/h2,4,6-8,10-11,15,18H,3,5,9,12H2,1H3,(H,23,24)