ethyl 6-methyl-6-oxidanyl-4-phenyl-3-phenylmethoxy-1,4,5,7-tetrahydroindazole-5-carboxylate

Systemtic Name: ethyl 6-methyl-6-oxidanyl-4-phenyl-3-phenylmethoxy-1,4,5,7-tetrahydroindazole-5-carboxylate Openeye Name: ethyl 3-benzyloxy-6-hydroxy-6-methyl-4-phenyl-1,4,5,7-tetrahydroindazole-5-carboxylate CAS Name: 6-hydroxy-6-methyl-4-phenyl-3-phenylmethoxy-1,4,5,7-tetrahydroindazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-hydroxy-6-methyl-4-phenyl-3-phenylmethoxy-1,4,5,7-tetrahydroindazole-5-carboxylate Traditional Name: 3-benzoxy-6-hydroxy-6-methyl-4-phenyl-1,4,5,7-tetrahydroindazole-5-carboxylic acid ethyl ester Formula: C24H26N2O4 MolecularWeight: 406.47424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C2=C(CC1(C)O)NN=C2OCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1C(C2=C(CC1(C)O)NN=C2OCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H26N2O4/c1-3-29-23(27)21-19(17-12-8-5-9-13-17)20-18(14-24(21,2)28)25-26-22(20)30-15-16-10-6-4-7-11-16/h4-13,19,21,28H,3,14-15H2,1-2H3,(H,25,26)