ethyl (4S,5R,6S)-3-(3-ethoxy-3-oxidanylidene-propoxy)-6-methyl-6-oxidanyl-4-phenyl-1,4,5,7-tetrahydroindazole-5-carboxylate

Systemtic Name: ethyl (4S,5R,6S)-3-(3-ethoxy-3-oxidanylidene-propoxy)-6-methyl-6-oxidanyl-4-phenyl-1,4,5,7-tetrahydroindazole-5-carboxylate Openeye Name: ethyl (4S,5R,6S)-3-(3-ethoxy-3-oxo-propoxy)-6-hydroxy-6-methyl-4-phenyl-1,4,5,7-tetrahydroindazole-5-carboxylate CAS Name: (4S,5R,6S)-3-(3-ethoxy-3-oxopropoxy)-6-hydroxy-6-methyl-4-phenyl-1,4,5,7-tetrahydroindazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,5R,6S)-3-(3-ethoxy-3-oxopropoxy)-6-hydroxy-6-methyl-4-phenyl-1,4,5,7-tetrahydroindazole-5-carboxylate Traditional Name: (4S,5R,6S)-3-(3-ethoxy-3-keto-propoxy)-6-hydroxy-6-methyl-4-phenyl-1,4,5,7-tetrahydroindazole-5-carboxylic acid ethyl ester Formula: C22H28N2O6 MolecularWeight: 416.46752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCOC1=NNC2=C1C(C(C(C2)(C)O)C(=O)OCC)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCOC1=NNC2=C1[C@@H]([C@H]([C@@](C2)(C)O)C(=O)OCC)C3=CC=CC=C3

InChI

InChI=1S/C22H28N2O6/c1-4-28-16(25)11-12-30-20-18-15(23-24-20)13-22(3,27)19(21(26)29-5-2)17(18)14-9-7-6-8-10-14/h6-10,17,19,27H,4-5,11-13H2,1-3H3,(H,23,24)/t17-,19-,22-/m0/s1