[1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-(4-methoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-(4-methoxyphenyl)quinoline-4-carboxylate Openeye Name: [1-methyl-2-(methylcarbamoylamino)-2-oxo-ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(4-methoxyphenyl)-4-quinolinecarboxylic acid [1-(methylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-methoxyphenyl)cinchoninic acid [2-keto-1-methyl-2-(methylcarbamoylamino)ethyl] ester Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O5/c1-13(20(26)25-22(28)23-2)30-21(27)17-12-19(14-8-10-15(29-3)11-9-14)24-18-7-5-4-6-16(17)18/h4-13H,1-3H3,(H2,23,25,26,28)