methyl (4S,5R,6S)-6-methyl-6-oxidanyl-3-oxidanylidene-2,4-diphenyl-1,4,5,7-tetrahydroindazole-5-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C1C(=O)OC)C3=CC=CC=C3)C(=O)N(N2)C4=CC=CC=C4)O

Isomeric SMILES

C[C@@]1(CC2=C([C@@H]([C@H]1C(=O)OC)C3=CC=CC=C3)C(=O)N(N2)C4=CC=CC=C4)O

InChI

InChI=1S/C22H22N2O4/c1-22(27)13-16-18(20(25)24(23-16)15-11-7-4-8-12-15)17(19(22)21(26)28-2)14-9-5-3-6-10-14/h3-12,17,19,23,27H,13H2,1-2H3/t17-,19-,22-/m0/s1