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

Systemtic Name: 3-methylbutyl 6-methyl-2-[6-methyl-4-(3-methylbutoxycarbonyl)quinolin-2-yl]quinoline-4-carboxylate Openeye Name: isopentyl 2-(4-isopentyloxycarbonyl-6-methyl-2-quinolyl)-6-methyl-quinoline-4-carboxylate CAS Name: 6-methyl-2-[6-methyl-4-[3-methylbutoxy(oxo)methyl]-2-quinolinyl]-4-quinolinecarboxylic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 6-methyl-2-[6-methyl-4-(3-methylbutoxycarbonyl)quinolin-2-yl]quinoline-4-carboxylate Traditional Name: 2-(4-isoamoxycarbonyl-6-methyl-2-quinolyl)-6-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=C(C=C(C=C4)C)C(=C3)C(=O)OCCC(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCCC(C)C)C3=NC4=C(C=C(C=C4)C)C(=C3)C(=O)OCCC(C)C

InChI

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