[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxidanylidene-ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate

Systemtic Name: [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxidanylidene-ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate Openeye Name: [2-[(3-methylisoxazol-5-yl)amino]-2-oxo-ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate CAS Name: 2-(2-chlorophenyl)-4-quinolinecarboxylic acid [2-[(3-methyl-5-isoxazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate Traditional Name: 2-(2-chlorophenyl)cinchoninic acid [2-keto-2-[(3-methylisoxazol-5-yl)amino]ethyl] ester Formula: C22H16ClN3O4 MolecularWeight: 421.83314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4Cl

Isomeric SMILES

CC1=NOC(=C1)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4Cl

InChI

InChI=1S/C22H16ClN3O4/c1-13-10-21(30-26-13)25-20(27)12-29-22(28)16-11-19(15-7-2-4-8-17(15)23)24-18-9-5-3-6-14(16)18/h2-11H,12H2,1H3,(H,25,27)