(phenylmethyl) (4R,5S,6R)-6-methyl-6-oxidanyl-3-oxidanylidene-4-phenyl-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate

Systemtic Name: (phenylmethyl) (4R,5S,6R)-6-methyl-6-oxidanyl-3-oxidanylidene-4-phenyl-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate Openeye Name: benzyl (4R,5S,6R)-6-hydroxy-6-methyl-3-oxo-4-phenyl-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate CAS Name: (4R,5S,6R)-6-hydroxy-6-methyl-3-oxo-4-phenyl-2,4,5,7-tetrahydro-1H-indazole-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (4R,5S,6R)-6-hydroxy-6-methyl-3-oxo-4-phenyl-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate Traditional Name: (4R,5S,6R)-6-hydroxy-3-keto-6-methyl-4-phenyl-2,4,5,7-tetrahydro-1H-indazole-5-carboxylic acid benzyl ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@]1(CC2=C([C@H]([C@@H]1C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4)C(=O)NN2)O

InChI

InChI=1S/C22H22N2O4/c1-22(27)12-16-18(20(25)24-23-16)17(15-10-6-3-7-11-15)19(22)21(26)28-13-14-8-4-2-5-9-14/h2-11,17,19,27H,12-13H2,1H3,(H2,23,24,25)/t17-,19-,22-/m1/s1