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

Systemtic Name: ethyl (4S,5R,6S)-4-(3-ethoxy-4-phenylmethoxy-phenyl)-6-methyl-6-oxidanyl-3-oxidanylidene-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate Openeye Name: ethyl (4S,5R,6S)-4-(4-benzyloxy-3-ethoxy-phenyl)-6-hydroxy-6-methyl-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate CAS Name: (4S,5R,6S)-4-(3-ethoxy-4-phenylmethoxyphenyl)-6-hydroxy-6-methyl-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,5R,6S)-4-(3-ethoxy-4-phenylmethoxyphenyl)-6-hydroxy-6-methyl-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate Traditional Name: (4S,5R,6S)-4-(4-benzoxy-3-ethoxy-phenyl)-6-hydroxy-3-keto-6-methyl-2,4,5,7-tetrahydro-1H-indazole-5-carboxylic acid ethyl ester Formula: C26H30N2O6 MolecularWeight: 466.5262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(C(CC3=C2C(=O)NN3)(C)O)C(=O)OCC)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@@H]2[C@H]([C@@](CC3=C2C(=O)NN3)(C)O)C(=O)OCC)OCC4=CC=CC=C4

InChI

InChI=1S/C26H30N2O6/c1-4-32-20-13-17(11-12-19(20)34-15-16-9-7-6-8-10-16)21-22-18(27-28-24(22)29)14-26(3,31)23(21)25(30)33-5-2/h6-13,21,23,31H,4-5,14-15H2,1-3H3,(H2,27,28,29)/t21-,23-,26-/m0/s1