ditert-butyl 2-[[2-(cyclopropylmethyl)-6-(3-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-pyridazin-4-yl]methyl]propanedioate

Systemtic Name: ditert-butyl 2-[[2-(cyclopropylmethyl)-6-(3-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-pyridazin-4-yl]methyl]propanedioate Openeye Name: ditert-butyl 2-[[2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxy-phenyl)-3-oxo-pyridazin-4-yl]methyl]propanedioate CAS Name: 2-[[2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-3-oxo-4-pyridazinyl]methyl]propanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-[[2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-3-oxopyridazin-4-yl]methyl]propanedioate Traditional Name: 2-[[2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxy-phenyl)-3-keto-pyridazin-4-yl]methyl]malonic acid ditert-butyl ester Formula: C27H35FN2O6 MolecularWeight: 502.575003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC(=NN(C1=O)CC2CC2)C3=CC(=C(C=C3)OC)F)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C(CC1=CC(=NN(C1=O)CC2CC2)C3=CC(=C(C=C3)OC)F)C(=O)OC(C)(C)C

InChI

InChI=1S/C27H35FN2O6/c1-26(2,3)35-24(32)19(25(33)36-27(4,5)6)12-18-14-21(17-10-11-22(34-7)20(28)13-17)29-30(23(18)31)15-16-8-9-16/h10-11,13-14,16,19H,8-9,12,15H2,1-7H3