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

Systemtic Name: ditert-butyl 2-[3-ethoxycarbonyl-1-[(4-methoxyphenyl)methyl]-2-oxidanylidene-6-quinolin-2-yl-pyridin-4-yl]propanedioate Openeye Name: ditert-butyl 2-[3-ethoxycarbonyl-1-[(4-methoxyphenyl)methyl]-2-oxo-6-(2-quinolyl)-4-pyridyl]propanedioate CAS Name: 2-[3-ethoxycarbonyl-1-[(4-methoxyphenyl)methyl]-2-oxo-6-(2-quinolinyl)-4-pyridinyl]propanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-[3-ethoxycarbonyl-1-[(4-methoxyphenyl)methyl]-2-oxo-6-quinolin-2-ylpyridin-4-yl]propanedioate Traditional Name: 2-[3-carbethoxy-2-keto-1-p-anisyl-6-(2-quinolyl)-4-pyridyl]malonic acid ditert-butyl ester Formula: C36H40N2O8 MolecularWeight: 628.7114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(N(C1=O)CC2=CC=C(C=C2)OC)C3=NC4=CC=CC=C4C=C3)C(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(N(C1=O)CC2=CC=C(C=C2)OC)C3=NC4=CC=CC=C4C=C3)C(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C36H40N2O8/c1-9-44-32(40)29-25(30(33(41)45-35(2,3)4)34(42)46-36(5,6)7)20-28(27-19-16-23-12-10-11-13-26(23)37-27)38(31(29)39)21-22-14-17-24(43-8)18-15-22/h10-20,30H,9,21H2,1-8H3