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

Systemtic Name: 3-methylbutyl 2-[4-(3-methylbutoxycarbonyl)quinolin-2-yl]quinoline-4-carboxylate Openeye Name: isopentyl 2-(4-isopentyloxycarbonyl-2-quinolyl)quinoline-4-carboxylate CAS Name: 2-[4-[3-methylbutoxy(oxo)methyl]-2-quinolinyl]-4-quinolinecarboxylic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[4-(3-methylbutoxycarbonyl)quinolin-2-yl]quinoline-4-carboxylate Traditional Name: 2-(4-isoamoxycarbonyl-2-quinolyl)cinchoninic acid isoamyl ester Formula: C30H32N2O4 MolecularWeight: 484.58608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C1=CC(=NC2=CC=CC=C21)C3=NC4=CC=CC=C4C(=C3)C(=O)OCCC(C)C

Isomeric SMILES

CC(C)CCOC(=O)C1=CC(=NC2=CC=CC=C21)C3=NC4=CC=CC=C4C(=C3)C(=O)OCCC(C)C

InChI

InChI=1S/C30H32N2O4/c1-19(2)13-15-35-29(33)23-17-27(31-25-11-7-5-9-21(23)25)28-18-24(30(34)36-16-14-20(3)4)22-10-6-8-12-26(22)32-28/h5-12,17-20H,13-16H2,1-4H3