[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-(4-chlorophenyl)quinoline-4-carboxylate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-(4-chlorophenyl)quinoline-4-carboxylate Openeye Name: (1-allophanoyl-2-methyl-propyl) 2-(4-chlorophenyl)quinoline-4-carboxylate CAS Name: 2-(4-chlorophenyl)-4-quinolinecarboxylic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(4-chlorophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-chlorophenyl)cinchoninic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C22H20ClN3O4 MolecularWeight: 425.8649

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClN3O4/c1-12(2)19(20(27)26-22(24)29)30-21(28)16-11-18(13-7-9-14(23)10-8-13)25-17-6-4-3-5-15(16)17/h3-12,19H,1-2H3,(H3,24,26,27,29)