heptyl 2-(4-heptoxycarbonyl-6-methyl-quinolin-2-yl)-5-methyl-quinoline-4-carboxylate

Systemtic Name: heptyl 2-(4-heptoxycarbonyl-6-methyl-quinolin-2-yl)-5-methyl-quinoline-4-carboxylate Openeye Name: heptyl 2-(4-heptoxycarbonyl-6-methyl-2-quinolyl)-5-methyl-quinoline-4-carboxylate CAS Name: 2-[4-[heptoxy(oxo)methyl]-6-methyl-2-quinolinyl]-5-methyl-4-quinolinecarboxylic acid heptyl ester IUPAC Name: heptyl 2-(4-heptoxycarbonyl-6-methylquinolin-2-yl)-5-methylquinoline-4-carboxylate Traditional Name: 2-(4-heptoxycarbonyl-6-methyl-2-quinolyl)-5-methyl-cinchoninic acid heptyl ester Formula: C36H44N2O4 MolecularWeight: 568.74556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=CC(=NC2=C1C=C(C=C2)C)C3=NC4=CC=CC(=C4C(=C3)C(=O)OCCCCCCC)C

Isomeric SMILES

CCCCCCCOC(=O)C1=CC(=NC2=C1C=C(C=C2)C)C3=NC4=CC=CC(=C4C(=C3)C(=O)OCCCCCCC)C

InChI

InChI=1S/C36H44N2O4/c1-5-7-9-11-13-20-41-35(39)28-23-32(37-30-19-18-25(3)22-27(28)30)33-24-29(34-26(4)16-15-17-31(34)38-33)36(40)42-21-14-12-10-8-6-2/h15-19,22-24H,5-14,20-21H2,1-4H3