ethyl (4R,5S,6S)-3-acetyloxy-2-ethanoyl-6-methyl-6-oxidanyl-4-pyridin-4-yl-5,7-dihydro-4H-indazole-5-carboxylate

Systemtic Name: ethyl (4R,5S,6S)-3-acetyloxy-2-ethanoyl-6-methyl-6-oxidanyl-4-pyridin-4-yl-5,7-dihydro-4H-indazole-5-carboxylate Openeye Name: ethyl (4R,5S,6S)-3-acetoxy-2-acetyl-6-hydroxy-6-methyl-4-(4-pyridyl)-5,7-dihydro-4H-indazole-5-carboxylate CAS Name: (4R,5S,6S)-2-acetyl-3-acetyloxy-6-hydroxy-6-methyl-4-pyridin-4-yl-5,7-dihydro-4H-indazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R,5S,6S)-2-acetyl-3-acetyloxy-6-hydroxy-6-methyl-4-pyridin-4-yl-5,7-dihydro-4H-indazole-5-carboxylate Traditional Name: (4R,5S,6S)-3-acetoxy-2-acetyl-6-hydroxy-6-methyl-4-(4-pyridyl)-5,7-dihydro-4H-indazole-5-carboxylic acid ethyl ester Formula: C20H23N3O6 MolecularWeight: 401.41312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C2=C(N(N=C2CC1(C)O)C(=O)C)OC(=O)C)C3=CC=NC=C3

Isomeric SMILES

CCOC(=O)[C@H]1[C@@H](C2=C(N(N=C2C[C@]1(C)O)C(=O)C)OC(=O)C)C3=CC=NC=C3

InChI

InChI=1S/C20H23N3O6/c1-5-28-19(26)17-15(13-6-8-21-9-7-13)16-14(10-20(17,4)27)22-23(11(2)24)18(16)29-12(3)25/h6-9,15,17,27H,5,10H2,1-4H3/t15-,17-,20+/m1/s1