[2-(ethylcarbamoylamino)-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate

Systemtic Name: [2-(ethylcarbamoylamino)-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate Openeye Name: [2-(ethylcarbamoylamino)-2-oxo-ethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate CAS Name: 2-(4-chlorophenyl)-4-quinolinecarboxylic acid [2-(ethylcarbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(ethylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-chlorophenyl)cinchoninic acid [2-(ethylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H18ClN3O4 MolecularWeight: 411.83832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN3O4/c1-2-23-21(28)25-19(26)12-29-20(27)16-11-18(13-7-9-14(22)10-8-13)24-17-6-4-3-5-15(16)17/h3-11H,2,12H2,1H3,(H2,23,25,26,28)