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

Systemtic Name: prop-2-enyl (4S,5R,6S)-4-(3-ethoxy-4-oxidanyl-phenyl)-6-methyl-6-oxidanyl-3-oxidanylidene-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate Openeye Name: allyl (4S,5R,6S)-4-(3-ethoxy-4-hydroxy-phenyl)-6-hydroxy-6-methyl-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate CAS Name: (4S,5R,6S)-4-(3-ethoxy-4-hydroxyphenyl)-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-(3-ethoxy-4-hydroxyphenyl)-6-hydroxy-6-methyl-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate Traditional Name: (4S,5R,6S)-4-(3-ethoxy-4-hydroxy-phenyl)-6-hydroxy-3-keto-6-methyl-2,4,5,7-tetrahydro-1H-indazole-5-carboxylic acid allyl ester Formula: C20H24N2O6 MolecularWeight: 388.41436

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(C(CC3=C2C(=O)NN3)(C)O)C(=O)OCC=C)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@@H]2[C@H]([C@@](CC3=C2C(=O)NN3)(C)O)C(=O)OCC=C)O

InChI

InChI=1S/C20H24N2O6/c1-4-8-28-19(25)17-15(11-6-7-13(23)14(9-11)27-5-2)16-12(10-20(17,3)26)21-22-18(16)24/h4,6-7,9,15,17,23,26H,1,5,8,10H2,2-3H3,(H2,21,22,24)/t15-,17-,20-/m0/s1