butyl 2-(4-butoxycarbonyl-6-methyl-quinolin-2-yl)-5-methyl-quinoline-4-carboxylate

Systemtic Name: butyl 2-(4-butoxycarbonyl-6-methyl-quinolin-2-yl)-5-methyl-quinoline-4-carboxylate Openeye Name: butyl 2-(4-butoxycarbonyl-6-methyl-2-quinolyl)-5-methyl-quinoline-4-carboxylate CAS Name: 2-[4-[butoxy(oxo)methyl]-6-methyl-2-quinolinyl]-5-methyl-4-quinolinecarboxylic acid butyl ester IUPAC Name: butyl 2-(4-butoxycarbonyl-6-methylquinolin-2-yl)-5-methylquinoline-4-carboxylate Traditional Name: 2-(4-butoxycarbonyl-6-methyl-2-quinolyl)-5-methyl-cinchoninic acid butyl ester Formula: C30H32N2O4 MolecularWeight: 484.58608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=NC2=C1C=C(C=C2)C)C3=NC4=CC=CC(=C4C(=C3)C(=O)OCCCC)C

Isomeric SMILES

CCCCOC(=O)C1=CC(=NC2=C1C=C(C=C2)C)C3=NC4=CC=CC(=C4C(=C3)C(=O)OCCCC)C

InChI

InChI=1S/C30H32N2O4/c1-5-7-14-35-29(33)22-17-26(31-24-13-12-19(3)16-21(22)24)27-18-23(30(34)36-15-8-6-2)28-20(4)10-9-11-25(28)32-27/h9-13,16-18H,5-8,14-15H2,1-4H3