2-methylpropyl 2-[4-(2-methylpropoxycarbonyl)quinolin-2-yl]quinoline-4-carboxylate

Systemtic Name: 2-methylpropyl 2-[4-(2-methylpropoxycarbonyl)quinolin-2-yl]quinoline-4-carboxylate Openeye Name: isobutyl 2-(4-isobutoxycarbonyl-2-quinolyl)quinoline-4-carboxylate CAS Name: 2-[4-[2-methylpropoxy(oxo)methyl]-2-quinolinyl]-4-quinolinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-[4-(2-methylpropoxycarbonyl)quinolin-2-yl]quinoline-4-carboxylate Traditional Name: 2-(4-isobutoxycarbonyl-2-quinolyl)cinchoninic acid isobutyl ester Formula: C28H28N2O4 MolecularWeight: 456.53292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=NC4=CC=CC=C4C(=C3)C(=O)OCC(C)C

Isomeric SMILES

CC(C)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=NC4=CC=CC=C4C(=C3)C(=O)OCC(C)C

InChI

InChI=1S/C28H28N2O4/c1-17(2)15-33-27(31)21-13-25(29-23-11-7-5-9-19(21)23)26-14-22(28(32)34-16-18(3)4)20-10-6-8-12-24(20)30-26/h5-14,17-18H,15-16H2,1-4H3