[2-[bis(2-methylpropyl)amino]-2-oxidanylidene-ethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate

Systemtic Name: [2-[bis(2-methylpropyl)amino]-2-oxidanylidene-ethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate Openeye Name: [2-(diisobutylamino)-2-oxo-ethyl] 2-(5-methyl-2-furyl)quinoline-4-carboxylate CAS Name: 2-(5-methyl-2-furanyl)-4-quinolinecarboxylic acid [2-[bis(2-methylpropyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate Traditional Name: 2-(5-methyl-2-furyl)cinchoninic acid [2-(diisobutylamino)-2-keto-ethyl] ester Formula: C25H30N2O4 MolecularWeight: 422.5167

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)N(CC(C)C)CC(C)C

Isomeric SMILES

CC1=CC=C(O1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)N(CC(C)C)CC(C)C

InChI

InChI=1S/C25H30N2O4/c1-16(2)13-27(14-17(3)4)24(28)15-30-25(29)20-12-22(23-11-10-18(5)31-23)26-21-9-7-6-8-19(20)21/h6-12,16-17H,13-15H2,1-5H3