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

Systemtic Name: prop-2-enyl (4S,5R,6S)-4-(4-ethylphenyl)-6-methyl-6-oxidanyl-3-oxidanylidene-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate Openeye Name: allyl (4S,5R,6S)-4-(4-ethylphenyl)-6-hydroxy-6-methyl-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate CAS Name: (4S,5R,6S)-4-(4-ethylphenyl)-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 (4S,5R,6S)-4-(4-ethylphenyl)-6-hydroxy-6-methyl-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate Traditional Name: (4S,5R,6S)-4-(4-ethylphenyl)-6-hydroxy-3-keto-6-methyl-2,4,5,7-tetrahydro-1H-indazole-5-carboxylic acid allyl ester Formula: C20H24N2O4 MolecularWeight: 356.41556

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2C(C(CC3=C2C(=O)NN3)(C)O)C(=O)OCC=C

Isomeric SMILES

CCC1=CC=C(C=C1)[C@@H]2[C@H]([C@@](CC3=C2C(=O)NN3)(C)O)C(=O)OCC=C

InChI

InChI=1S/C20H24N2O4/c1-4-10-26-19(24)17-15(13-8-6-12(5-2)7-9-13)16-14(11-20(17,3)25)21-22-18(16)23/h4,6-9,15,17,25H,1,5,10-11H2,2-3H3,(H2,21,22,23)/t15-,17-,20-/m0/s1