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

Systemtic Name: ethyl (4S,5R,6S)-6-methyl-6-oxidanyl-3-oxidanylidene-2,4-diphenyl-1,4,5,7-tetrahydroindazole-5-carboxylate Openeye Name: ethyl (4S,5R,6S)-6-hydroxy-6-methyl-3-oxo-2,4-diphenyl-1,4,5,7-tetrahydroindazole-5-carboxylate CAS Name: (4S,5R,6S)-6-hydroxy-6-methyl-3-oxo-2,4-diphenyl-1,4,5,7-tetrahydroindazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,5R,6S)-6-hydroxy-6-methyl-3-oxo-2,4-diphenyl-1,4,5,7-tetrahydroindazole-5-carboxylate Traditional Name: (4S,5R,6S)-6-hydroxy-3-keto-6-methyl-2,4-diphenyl-1,4,5,7-tetrahydroindazole-5-carboxylic acid ethyl ester Formula: C23H24N2O4 MolecularWeight: 392.44766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C2=C(CC1(C)O)NN(C2=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)[C@@H]1[C@H](C2=C(C[C@]1(C)O)NN(C2=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H24N2O4/c1-3-29-22(27)20-18(15-10-6-4-7-11-15)19-17(14-23(20,2)28)24-25(21(19)26)16-12-8-5-9-13-16/h4-13,18,20,24,28H,3,14H2,1-2H3/t18-,20-,23-/m0/s1