ethyl (4S,5R,6S)-6-methyl-6-oxidanyl-3-oxidanylidene-4-(4-phenylmethoxyphenyl)-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate

Systemtic Name: ethyl (4S,5R,6S)-6-methyl-6-oxidanyl-3-oxidanylidene-4-(4-phenylmethoxyphenyl)-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate Openeye Name: ethyl (4S,5R,6S)-4-(4-benzyloxyphenyl)-6-hydroxy-6-methyl-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate CAS Name: (4S,5R,6S)-6-hydroxy-6-methyl-3-oxo-4-(4-phenylmethoxyphenyl)-2,4,5,7-tetrahydro-1H-indazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,5R,6S)-6-hydroxy-6-methyl-3-oxo-4-(4-phenylmethoxyphenyl)-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate Traditional Name: (4S,5R,6S)-4-(4-benzoxyphenyl)-6-hydroxy-3-keto-6-methyl-2,4,5,7-tetrahydro-1H-indazole-5-carboxylic acid ethyl ester Formula: C24H26N2O5 MolecularWeight: 422.47364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C2=C(CC1(C)O)NNC2=O)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)[C@@H]1[C@H](C2=C(C[C@]1(C)O)NNC2=O)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C24H26N2O5/c1-3-30-23(28)21-19(20-18(13-24(21,2)29)25-26-22(20)27)16-9-11-17(12-10-16)31-14-15-7-5-4-6-8-15/h4-12,19,21,29H,3,13-14H2,1-2H3,(H2,25,26,27)/t19-,21-,24-/m0/s1