[4-[1-(3,3-dimethyl-2-oxidanylidene-butyl)-6-methoxy-indazol-3-yl]carbonylphenyl]methyl dihydrogen phosphate

Systemtic Name: [4-[1-(3,3-dimethyl-2-oxidanylidene-butyl)-6-methoxy-indazol-3-yl]carbonylphenyl]methyl dihydrogen phosphate Openeye Name: [4-[1-(3,3-dimethyl-2-oxo-butyl)-6-methoxy-indazole-3-carbonyl]phenyl]methyl dihydrogen phosphate CAS Name: [4-[[1-(3,3-dimethyl-2-oxobutyl)-6-methoxy-3-indazolyl]-oxomethyl]phenyl]methyl dihydrogen phosphate IUPAC Name: [4-[1-(3,3-dimethyl-2-oxobutyl)-6-methoxyindazole-3-carbonyl]phenyl]methyl dihydrogen phosphate Traditional Name: [4-[1-(2-keto-3,3-dimethyl-butyl)-6-methoxy-indazole-3-carbonyl]benzyl] dihydrogen phosphate Formula: C22H25N2O7P MolecularWeight: 460.416861

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C2=C(C=CC(=C2)OC)C(=N1)C(=O)C3=CC=C(C=C3)COP(=O)(O)O

Isomeric SMILES

CC(C)(C)C(=O)CN1C2=C(C=CC(=C2)OC)C(=N1)C(=O)C3=CC=C(C=C3)COP(=O)(O)O

InChI

InChI=1S/C22H25N2O7P/c1-22(2,3)19(25)12-24-18-11-16(30-4)9-10-17(18)20(23-24)21(26)15-7-5-14(6-8-15)13-31-32(27,28)29/h5-11H,12-13H2,1-4H3,(H2,27,28,29)