ethyl (4R,5S,6S)-2-ethyl-6-methyl-6-oxidanyl-3-oxidanylidene-4-pyridin-4-yl-1,4,5,7-tetrahydroindazole-5-carboxylate

Systemtic Name: ethyl (4R,5S,6S)-2-ethyl-6-methyl-6-oxidanyl-3-oxidanylidene-4-pyridin-4-yl-1,4,5,7-tetrahydroindazole-5-carboxylate Openeye Name: ethyl (4R,5S,6S)-2-ethyl-6-hydroxy-6-methyl-3-oxo-4-(4-pyridyl)-1,4,5,7-tetrahydroindazole-5-carboxylate CAS Name: (4R,5S,6S)-2-ethyl-6-hydroxy-6-methyl-3-oxo-4-pyridin-4-yl-1,4,5,7-tetrahydroindazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R,5S,6S)-2-ethyl-6-hydroxy-6-methyl-3-oxo-4-pyridin-4-yl-1,4,5,7-tetrahydroindazole-5-carboxylate Traditional Name: (4R,5S,6S)-2-ethyl-6-hydroxy-3-keto-6-methyl-4-(4-pyridyl)-1,4,5,7-tetrahydroindazole-5-carboxylic acid ethyl ester Formula: C18H23N3O4 MolecularWeight: 345.39292

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N1)CC(C(C2C3=CC=NC=C3)C(=O)OCC)(C)O

Isomeric SMILES

CCN1C(=O)C2=C(N1)C[C@]([C@H]([C@@H]2C3=CC=NC=C3)C(=O)OCC)(C)O

InChI

InChI=1S/C18H23N3O4/c1-4-21-16(22)14-12(20-21)10-18(3,24)15(17(23)25-5-2)13(14)11-6-8-19-9-7-11/h6-9,13,15,20,24H,4-5,10H2,1-3H3/t13-,15-,18+/m1/s1