[cyclopentylidene-[1-(3,3-dimethyl-2-oxidanylidene-pentyl)-6-methoxy-indazol-3-yl]methyl] dihydrogen phosphate

Systemtic Name: [cyclopentylidene-[1-(3,3-dimethyl-2-oxidanylidene-pentyl)-6-methoxy-indazol-3-yl]methyl] dihydrogen phosphate Openeye Name: [cyclopentylidene-[1-(3,3-dimethyl-2-oxo-pentyl)-6-methoxy-indazol-3-yl]methyl] dihydrogen phosphate CAS Name: [cyclopentylidene-[1-(3,3-dimethyl-2-oxopentyl)-6-methoxy-3-indazolyl]methyl] dihydrogen phosphate IUPAC Name: [cyclopentylidene-[1-(3,3-dimethyl-2-oxopentyl)-6-methoxyindazol-3-yl]methyl] dihydrogen phosphate Traditional Name: [cyclopentylidene-[1-(2-keto-3,3-dimethyl-pentyl)-6-methoxy-indazol-3-yl]methyl] dihydrogen phosphate Formula: C21H29N2O6P MolecularWeight: 436.438521

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)CN1C2=C(C=CC(=C2)OC)C(=N1)C(=C3CCCC3)OP(=O)(O)O

Isomeric SMILES

CCC(C)(C)C(=O)CN1C2=C(C=CC(=C2)OC)C(=N1)C(=C3CCCC3)OP(=O)(O)O

InChI

InChI=1S/C21H29N2O6P/c1-5-21(2,3)18(24)13-23-17-12-15(28-4)10-11-16(17)19(22-23)20(29-30(25,26)27)14-8-6-7-9-14/h10-12H,5-9,13H2,1-4H3,(H2,25,26,27)