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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)CNC(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(O3)C

Isomeric SMILES

CCNC(=O)CNC(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(O3)C

InChI

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