[2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 2-(furan-2-yl)quinoline-4-carboxylate

Systemtic Name: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 2-(furan-2-yl)quinoline-4-carboxylate Openeye Name: [2-(tert-butylcarbamoylamino)-2-oxo-ethyl] 2-(2-furyl)quinoline-4-carboxylate CAS Name: 2-(2-furanyl)-4-quinolinecarboxylic acid [2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate Traditional Name: 2-(2-furyl)cinchoninic acid [2-(tert-butylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CO3

Isomeric SMILES

CC(C)(C)NC(=O)NC(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CO3

InChI

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