propyl 6-methyl-2-(6-methyl-4-propoxycarbonyl-quinolin-2-yl)quinoline-4-carboxylate

Systemtic Name: propyl 6-methyl-2-(6-methyl-4-propoxycarbonyl-quinolin-2-yl)quinoline-4-carboxylate Openeye Name: propyl 6-methyl-2-(6-methyl-4-propoxycarbonyl-2-quinolyl)quinoline-4-carboxylate CAS Name: 6-methyl-2-[6-methyl-4-[oxo(propoxy)methyl]-2-quinolinyl]-4-quinolinecarboxylic acid propyl ester IUPAC Name: propyl 6-methyl-2-(6-methyl-4-propoxycarbonylquinolin-2-yl)quinoline-4-carboxylate Traditional Name: 6-methyl-2-(6-methyl-4-propoxycarbonyl-2-quinolyl)cinchoninic acid propyl ester Formula: C28H28N2O4 MolecularWeight: 456.53292

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC(=NC2=C1C=C(C=C2)C)C3=NC4=C(C=C(C=C4)C)C(=C3)C(=O)OCCC

Isomeric SMILES

CCCOC(=O)C1=CC(=NC2=C1C=C(C=C2)C)C3=NC4=C(C=C(C=C4)C)C(=C3)C(=O)OCCC

InChI

InChI=1S/C28H28N2O4/c1-5-11-33-27(31)21-15-25(29-23-9-7-17(3)13-19(21)23)26-16-22(28(32)34-12-6-2)20-14-18(4)8-10-24(20)30-26/h7-10,13-16H,5-6,11-12H2,1-4H3