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

Systemtic Name: ditert-butyl 2-[3-ethoxycarbonyl-2-oxidanylidene-1-(phenylmethyl)-6-quinolin-2-yl-pyridin-4-yl]propanedioate Openeye Name: ditert-butyl 2-[1-benzyl-3-ethoxycarbonyl-2-oxo-6-(2-quinolyl)-4-pyridyl]propanedioate CAS Name: 2-[3-ethoxycarbonyl-2-oxo-1-(phenylmethyl)-6-(2-quinolinyl)-4-pyridinyl]propanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-(1-benzyl-3-ethoxycarbonyl-2-oxo-6-quinolin-2-ylpyridin-4-yl)propanedioate Traditional Name: 2-[1-benzyl-3-carbethoxy-2-keto-6-(2-quinolyl)-4-pyridyl]malonic acid ditert-butyl ester Formula: C35H38N2O7 MolecularWeight: 598.68542

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C35H38N2O7/c1-8-42-31(39)28-24(29(32(40)43-34(2,3)4)33(41)44-35(5,6)7)20-27(26-19-18-23-16-12-13-17-25(23)36-26)37(30(28)38)21-22-14-10-9-11-15-22/h9-20,29H,8,21H2,1-7H3