(phenylmethyl) 6-methyl-6-oxidanyl-3-oxidanylidene-4-(4-propan-2-ylphenyl)-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate

Systemtic Name: (phenylmethyl) 6-methyl-6-oxidanyl-3-oxidanylidene-4-(4-propan-2-ylphenyl)-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate Openeye Name: benzyl 6-hydroxy-4-(4-isopropylphenyl)-6-methyl-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate CAS Name: 6-hydroxy-6-methyl-3-oxo-4-(4-propan-2-ylphenyl)-2,4,5,7-tetrahydro-1H-indazole-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-hydroxy-6-methyl-3-oxo-4-(4-propan-2-ylphenyl)-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate Traditional Name: 6-hydroxy-3-keto-6-methyl-4-p-cumenyl-2,4,5,7-tetrahydro-1H-indazole-5-carboxylic acid benzyl ester Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2C(C(CC3=C2C(=O)NN3)(C)O)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2C(C(CC3=C2C(=O)NN3)(C)O)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H28N2O4/c1-15(2)17-9-11-18(12-10-17)20-21-19(26-27-23(21)28)13-25(3,30)22(20)24(29)31-14-16-7-5-4-6-8-16/h4-12,15,20,22,30H,13-14H2,1-3H3,(H2,26,27,28)