[1-[1-(3,3-dimethyl-2-oxidanylidene-pentyl)-6-methoxy-indazol-3-yl]-2-methyl-prop-1-enyl] methyl hydrogen phosphate

Systemtic Name: [1-[1-(3,3-dimethyl-2-oxidanylidene-pentyl)-6-methoxy-indazol-3-yl]-2-methyl-prop-1-enyl] methyl hydrogen phosphate Openeye Name: [1-[1-(3,3-dimethyl-2-oxo-pentyl)-6-methoxy-indazol-3-yl]-2-methyl-prop-1-enyl] methyl hydrogen phosphate CAS Name: [1-[1-(3,3-dimethyl-2-oxopentyl)-6-methoxy-3-indazolyl]-2-methylprop-1-enyl] methyl hydrogen phosphate IUPAC Name: [1-[1-(3,3-dimethyl-2-oxopentyl)-6-methoxyindazol-3-yl]-2-methylprop-1-enyl] methyl hydrogen phosphate Traditional Name: [1-[1-(2-keto-3,3-dimethyl-pentyl)-6-methoxy-indazol-3-yl]-2-methyl-prop-1-enyl] methyl hydrogen phosphate Formula: C20H29N2O6P MolecularWeight: 424.427821

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)CN1C2=C(C=CC(=C2)OC)C(=N1)C(=C(C)C)OP(=O)(O)OC

Isomeric SMILES

CCC(C)(C)C(=O)CN1C2=C(C=CC(=C2)OC)C(=N1)C(=C(C)C)OP(=O)(O)OC

InChI

InChI=1S/C20H29N2O6P/c1-8-20(4,5)17(23)12-22-16-11-14(26-6)9-10-15(16)18(21-22)19(13(2)3)28-29(24,25)27-7/h9-11H,8,12H2,1-7H3,(H,24,25)