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

Systemtic Name: (phenylmethyl) (4R,5S,6R)-6-methyl-6-oxidanyl-3-oxidanylidene-4-pyridin-3-yl-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate Openeye Name: benzyl (4R,5S,6R)-6-hydroxy-6-methyl-3-oxo-4-(3-pyridyl)-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate CAS Name: (4R,5S,6R)-6-hydroxy-6-methyl-3-oxo-4-(3-pyridinyl)-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-pyridin-3-yl-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate Traditional Name: (4R,5S,6R)-6-hydroxy-3-keto-6-methyl-4-(3-pyridyl)-2,4,5,7-tetrahydro-1H-indazole-5-carboxylic acid benzyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4/c1-21(27)10-15-17(19(25)24-23-15)16(14-8-5-9-22-11-14)18(21)20(26)28-12-13-6-3-2-4-7-13/h2-9,11,16,18,27H,10,12H2,1H3,(H2,23,24,25)/t16-,18-,21-/m1/s1