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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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