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

Systemtic Name: ditert-butyl [4-[1-(3,3-dimethyl-2-oxidanylidene-butyl)-6-methoxy-indazol-3-yl]carbonylphenyl]methyl phosphate Openeye Name: ditert-butyl [4-[1-(3,3-dimethyl-2-oxo-butyl)-6-methoxy-indazole-3-carbonyl]phenyl]methyl phosphate CAS Name: phosphoric acid ditert-butyl [4-[[1-(3,3-dimethyl-2-oxobutyl)-6-methoxy-3-indazolyl]-oxomethyl]phenyl]methyl ester IUPAC Name: ditert-butyl [4-[1-(3,3-dimethyl-2-oxobutyl)-6-methoxyindazole-3-carbonyl]phenyl]methyl phosphate Traditional Name: phosphoric acid ditert-butyl [4-[1-(2-keto-3,3-dimethyl-butyl)-6-methoxy-indazole-3-carbonyl]benzyl] ester Formula: C30H41N2O7P MolecularWeight: 572.629501

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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)(OC(C)(C)C)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C30H41N2O7P/c1-28(2,3)25(33)18-32-24-17-22(36-10)15-16-23(24)26(31-32)27(34)21-13-11-20(12-14-21)19-37-40(35,38-29(4,5)6)39-30(7,8)9/h11-17H,18-19H2,1-10H3