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

Systemtic Name: prop-2-enyl (4S,5R,6S)-6-methyl-6-oxidanyl-3-oxidanylidene-4-(4-propan-2-ylphenyl)-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate Openeye Name: allyl (4S,5R,6S)-6-hydroxy-4-(4-isopropylphenyl)-6-methyl-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate CAS Name: (4S,5R,6S)-6-hydroxy-6-methyl-3-oxo-4-(4-propan-2-ylphenyl)-2,4,5,7-tetrahydro-1H-indazole-5-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (4S,5R,6S)-6-hydroxy-6-methyl-3-oxo-4-(4-propan-2-ylphenyl)-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate Traditional Name: (4S,5R,6S)-6-hydroxy-3-keto-6-methyl-4-p-cumenyl-2,4,5,7-tetrahydro-1H-indazole-5-carboxylic acid allyl ester Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2C(C(CC3=C2C(=O)NN3)(C)O)C(=O)OCC=C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)[C@@H]2[C@H]([C@@](CC3=C2C(=O)NN3)(C)O)C(=O)OCC=C

InChI

InChI=1S/C21H26N2O4/c1-5-10-27-20(25)18-16(14-8-6-13(7-9-14)12(2)3)17-15(11-21(18,4)26)22-23-19(17)24/h5-9,12,16,18,26H,1,10-11H2,2-4H3,(H2,22,23,24)/t16-,18-,21-/m0/s1