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

Systemtic Name: prop-2-enyl (4R,5S,6R)-4-(4-tert-butylphenyl)-6-methyl-6-oxidanyl-3-oxidanylidene-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate Openeye Name: allyl (4R,5S,6R)-4-(4-tert-butylphenyl)-6-hydroxy-6-methyl-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate CAS Name: (4R,5S,6R)-4-(4-tert-butylphenyl)-6-hydroxy-6-methyl-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (4R,5S,6R)-4-(4-tert-butylphenyl)-6-hydroxy-6-methyl-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate Traditional Name: (4R,5S,6R)-4-(4-tert-butylphenyl)-6-hydroxy-3-keto-6-methyl-2,4,5,7-tetrahydro-1H-indazole-5-carboxylic acid allyl ester Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C1C(=O)OCC=C)C3=CC=C(C=C3)C(C)(C)C)C(=O)NN2)O

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4/c1-6-11-28-20(26)18-16(13-7-9-14(10-8-13)21(2,3)4)17-15(12-22(18,5)27)23-24-19(17)25/h6-10,16,18,27H,1,11-12H2,2-5H3,(H2,23,24,25)/t16-,18-,22-/m1/s1