[2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate Openeye Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(5-methyl-2-furyl)quinoline-4-carboxylate CAS Name: 2-(5-methyl-2-furanyl)-4-quinolinecarboxylic acid [2-oxo-2-[[oxo(propylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate Traditional Name: 2-(5-methyl-2-furyl)cinchoninic acid [2-keto-2-(propylcarbamoylamino)ethyl] ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(O3)C

Isomeric SMILES

CCCNC(=O)NC(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(O3)C

InChI

InChI=1S/C21H21N3O5/c1-3-10-22-21(27)24-19(25)12-28-20(26)15-11-17(18-9-8-13(2)29-18)23-16-7-5-4-6-14(15)16/h4-9,11H,3,10,12H2,1-2H3,(H2,22,24,25,27)