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

Systemtic Name: ditert-butyl 2-(3-ethoxycarbonyl-1-methyl-2-oxidanylidene-6-quinolin-2-yl-pyridin-4-yl)propanedioate Openeye Name: ditert-butyl 2-[3-ethoxycarbonyl-1-methyl-2-oxo-6-(2-quinolyl)-4-pyridyl]propanedioate CAS Name: 2-[3-ethoxycarbonyl-1-methyl-2-oxo-6-(2-quinolinyl)-4-pyridinyl]propanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-(3-ethoxycarbonyl-1-methyl-2-oxo-6-quinolin-2-ylpyridin-4-yl)propanedioate Traditional Name: 2-[3-carbethoxy-2-keto-1-methyl-6-(2-quinolyl)-4-pyridyl]malonic acid ditert-butyl ester Formula: C29H34N2O7 MolecularWeight: 522.58946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(N(C1=O)C)C2=NC3=CC=CC=C3C=C2)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=NC3=CC=CC=C3C=C2)C(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C29H34N2O7/c1-9-36-25(33)22-18(23(26(34)37-28(2,3)4)27(35)38-29(5,6)7)16-21(31(8)24(22)32)20-15-14-17-12-10-11-13-19(17)30-20/h10-16,23H,9H2,1-8H3