hexyl 2-(4-hexoxycarbonyl-6-methyl-quinolin-2-yl)-6-methyl-quinoline-4-carboxylate

Systemtic Name: hexyl 2-(4-hexoxycarbonyl-6-methyl-quinolin-2-yl)-6-methyl-quinoline-4-carboxylate Openeye Name: hexyl 2-(4-hexoxycarbonyl-6-methyl-2-quinolyl)-6-methyl-quinoline-4-carboxylate CAS Name: 2-[4-[hexoxy(oxo)methyl]-6-methyl-2-quinolinyl]-6-methyl-4-quinolinecarboxylic acid hexyl ester IUPAC Name: hexyl 2-(4-hexoxycarbonyl-6-methylquinolin-2-yl)-6-methylquinoline-4-carboxylate Traditional Name: 2-(4-hexoxycarbonyl-6-methyl-2-quinolyl)-6-methyl-cinchoninic acid hexyl ester Formula: C34H40N2O4 MolecularWeight: 540.6924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC(=NC2=C1C=C(C=C2)C)C3=NC4=C(C=C(C=C4)C)C(=C3)C(=O)OCCCCCC

Isomeric SMILES

CCCCCCOC(=O)C1=CC(=NC2=C1C=C(C=C2)C)C3=NC4=C(C=C(C=C4)C)C(=C3)C(=O)OCCCCCC

InChI

InChI=1S/C34H40N2O4/c1-5-7-9-11-17-39-33(37)27-21-31(35-29-15-13-23(3)19-25(27)29)32-22-28(34(38)40-18-12-10-8-6-2)26-20-24(4)14-16-30(26)36-32/h13-16,19-22H,5-12,17-18H2,1-4H3