ethyl 6-methyl-6-oxidanyl-4-phenyl-3-phenylmethoxy-1-(phenylmethyl)-5,7-dihydro-4H-indazole-5-carboxylate

Systemtic Name: ethyl 6-methyl-6-oxidanyl-4-phenyl-3-phenylmethoxy-1-(phenylmethyl)-5,7-dihydro-4H-indazole-5-carboxylate Openeye Name: ethyl 1-benzyl-3-benzyloxy-6-hydroxy-6-methyl-4-phenyl-5,7-dihydro-4H-indazole-5-carboxylate CAS Name: 6-hydroxy-6-methyl-4-phenyl-3-phenylmethoxy-1-(phenylmethyl)-5,7-dihydro-4H-indazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-6-hydroxy-6-methyl-4-phenyl-3-phenylmethoxy-5,7-dihydro-4H-indazole-5-carboxylate Traditional Name: 3-benzoxy-1-benzyl-6-hydroxy-6-methyl-4-phenyl-5,7-dihydro-4H-indazole-5-carboxylic acid ethyl ester Formula: C31H32N2O4 MolecularWeight: 496.59678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C2=C(CC1(C)O)N(N=C2OCC3=CC=CC=C3)CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1C(C2=C(CC1(C)O)N(N=C2OCC3=CC=CC=C3)CC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H32N2O4/c1-3-36-30(34)28-26(24-17-11-6-12-18-24)27-25(19-31(28,2)35)33(20-22-13-7-4-8-14-22)32-29(27)37-21-23-15-9-5-10-16-23/h4-18,26,28,35H,3,19-21H2,1-2H3