(1R,2R)-1-(3,5-dimethylpyrazol-1-yl)carbonyl-2-(4-fluorophenyl)-4-methyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: (1R,2R)-1-(3,5-dimethylpyrazol-1-yl)carbonyl-2-(4-fluorophenyl)-4-methyl-cyclohex-3-ene-1-carboxylate Openeye Name: (1R,2R)-1-(3,5-dimethylpyrazole-1-carbonyl)-2-(4-fluorophenyl)-4-methyl-cyclohex-3-ene-1-carboxylate CAS Name: (1R,2R)-1-[(3,5-dimethyl-1-pyrazolyl)-oxomethyl]-2-(4-fluorophenyl)-4-methyl-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,2R)-1-(3,5-dimethylpyrazole-1-carbonyl)-2-(4-fluorophenyl)-4-methylcyclohex-3-ene-1-carboxylate Traditional Name: (1R,2R)-1-(3,5-dimethylpyrazole-1-carbonyl)-2-(4-fluorophenyl)-4-methyl-cyclohex-3-ene-1-carboxylate Formula: C20H20FN2O3- MolecularWeight: 355.382803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(C(CC1)(C(=O)N2C(=CC(=N2)C)C)C(=O)[O-])C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C[C@@H]([C@](CC1)(C(=O)N2C(=CC(=N2)C)C)C(=O)[O-])C3=CC=C(C=C3)F

InChI

InChI=1S/C20H21FN2O3/c1-12-8-9-20(19(25)26,18(24)23-14(3)11-13(2)22-23)17(10-12)15-4-6-16(21)7-5-15/h4-7,10-11,17H,8-9H2,1-3H3,(H,25,26)/p-1/t17-,20-/m1/s1