ditert-butyl 2-(3-ethoxycarbonyl-1-methyl-2-oxidanylidene-6-pyridin-2-yl-pyridin-4-yl)propanedioate

Systemtic Name: ditert-butyl 2-(3-ethoxycarbonyl-1-methyl-2-oxidanylidene-6-pyridin-2-yl-pyridin-4-yl)propanedioate Openeye Name: ditert-butyl 2-[3-ethoxycarbonyl-1-methyl-2-oxo-6-(2-pyridyl)-4-pyridyl]propanedioate CAS Name: 2-[3-ethoxycarbonyl-1-methyl-2-oxo-6-(2-pyridinyl)-4-pyridinyl]propanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-(3-ethoxycarbonyl-1-methyl-2-oxo-6-pyridin-2-ylpyridin-4-yl)propanedioate Traditional Name: 2-[3-carbethoxy-2-keto-1-methyl-6-(2-pyridyl)-4-pyridyl]malonic acid ditert-butyl ester Formula: C25H32N2O7 MolecularWeight: 472.53078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(N(C1=O)C)C2=CC=CC=N2)C(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(N(C1=O)C)C2=CC=CC=N2)C(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H32N2O7/c1-9-32-21(29)18-15(14-17(27(8)20(18)28)16-12-10-11-13-26-16)19(22(30)33-24(2,3)4)23(31)34-25(5,6)7/h10-14,19H,9H2,1-8H3