[1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate

Systemtic Name: [1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate Openeye Name: [2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl] 2-(2-furyl)quinoline-4-carboxylate CAS Name: 2-(2-furanyl)-4-quinolinecarboxylic acid [1-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate Traditional Name: 2-(2-furyl)cinchoninic acid [2-(tert-butylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O5/c1-13(19(26)24-21(28)25-22(2,3)4)30-20(27)15-12-17(18-10-7-11-29-18)23-16-9-6-5-8-14(15)16/h5-13H,1-4H3,(H2,24,25,26,28)