3-methylbutyl 5-methyl-2-[6-methyl-4-(3-methylbutoxycarbonyl)quinolin-2-yl]quinoline-4-carboxylate

Systemtic Name: 3-methylbutyl 5-methyl-2-[6-methyl-4-(3-methylbutoxycarbonyl)quinolin-2-yl]quinoline-4-carboxylate Openeye Name: isopentyl 2-(4-isopentyloxycarbonyl-6-methyl-2-quinolyl)-5-methyl-quinoline-4-carboxylate CAS Name: 5-methyl-2-[6-methyl-4-[3-methylbutoxy(oxo)methyl]-2-quinolinyl]-4-quinolinecarboxylic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 5-methyl-2-[6-methyl-4-(3-methylbutoxycarbonyl)quinolin-2-yl]quinoline-4-carboxylate Traditional Name: 2-(4-isoamoxycarbonyl-6-methyl-2-quinolyl)-5-methyl-cinchoninic acid isoamyl ester Formula: C32H36N2O4 MolecularWeight: 512.63924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCCC(C)C)C3=NC4=CC=CC(=C4C(=C3)C(=O)OCCC(C)C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCCC(C)C)C3=NC4=CC=CC(=C4C(=C3)C(=O)OCCC(C)C)C

InChI

InChI=1S/C32H36N2O4/c1-19(2)12-14-37-31(35)24-17-28(33-26-11-10-21(5)16-23(24)26)29-18-25(32(36)38-15-13-20(3)4)30-22(6)8-7-9-27(30)34-29/h7-11,16-20H,12-15H2,1-6H3