1-azanyl-3-(3-fluoranylpyridin-4-yl)-5-methyl-2-(1,2-oxazol-4-ylcarbonyl)cyclohexane-1-carboxylic acid

Systemtic Name: 1-azanyl-3-(3-fluoranylpyridin-4-yl)-5-methyl-2-(1,2-oxazol-4-ylcarbonyl)cyclohexane-1-carboxylic acid Openeye Name: 1-amino-3-(3-fluoro-4-pyridyl)-2-(isoxazole-4-carbonyl)-5-methyl-cyclohexanecarboxylic acid CAS Name: 1-amino-3-(3-fluoro-4-pyridinyl)-2-[4-isoxazolyl(oxo)methyl]-5-methyl-1-cyclohexanecarboxylic acid IUPAC Name: 1-amino-3-(3-fluoropyridin-4-yl)-5-methyl-2-(1,2-oxazole-4-carbonyl)cyclohexane-1-carboxylic acid Traditional Name: 1-amino-3-(3-fluoro-4-pyridyl)-2-(isoxazole-4-carbonyl)-5-methyl-cyclohexanecarboxylic acid Formula: C17H18FN3O4 MolecularWeight: 347.340923

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C(C1)(C(=O)O)N)C(=O)C2=CON=C2)C3=C(C=NC=C3)F

Isomeric SMILES

CC1CC(C(C(C1)(C(=O)O)N)C(=O)C2=CON=C2)C3=C(C=NC=C3)F

InChI

InChI=1S/C17H18FN3O4/c1-9-4-12(11-2-3-20-7-13(11)18)14(17(19,5-9)16(23)24)15(22)10-6-21-25-8-10/h2-3,6-9,12,14H,4-5,19H2,1H3,(H,23,24)