(3,3-dimethyl-2-oxidanylidene-butyl) 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate CAS Name: 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate Traditional Name: 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C20H23FN2O3 MolecularWeight: 358.406623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=NN(C2=C1CCCC2)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=NN(C2=C1CCCC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H23FN2O3/c1-20(2,3)17(24)12-26-19(25)18-15-6-4-5-7-16(15)23(22-18)14-10-8-13(21)9-11-14/h8-11H,4-7,12H2,1-3H3