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

Systemtic Name: (phenylmethyl) 4-(4-tert-butylphenyl)-6-methyl-6-oxidanyl-3-oxidanylidene-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate Openeye Name: benzyl 4-(4-tert-butylphenyl)-6-hydroxy-6-methyl-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate CAS Name: 4-(4-tert-butylphenyl)-6-hydroxy-6-methyl-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(4-tert-butylphenyl)-6-hydroxy-6-methyl-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate Traditional Name: 4-(4-tert-butylphenyl)-6-hydroxy-3-keto-6-methyl-2,4,5,7-tetrahydro-1H-indazole-5-carboxylic acid benzyl ester Formula: C26H30N2O4 MolecularWeight: 434.5274

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C1C(=O)OCC3=CC=CC=C3)C4=CC=C(C=C4)C(C)(C)C)C(=O)NN2)O

Isomeric SMILES

CC1(CC2=C(C(C1C(=O)OCC3=CC=CC=C3)C4=CC=C(C=C4)C(C)(C)C)C(=O)NN2)O

InChI

InChI=1S/C26H30N2O4/c1-25(2,3)18-12-10-17(11-13-18)20-21-19(27-28-23(21)29)14-26(4,31)22(20)24(30)32-15-16-8-6-5-7-9-16/h5-13,20,22,31H,14-15H2,1-4H3,(H2,27,28,29)