[2-[3-[methyl(phenyl)amino]propylamino]-2-oxidanylidene-ethyl] 2-chloranylquinoline-4-carboxylate

Systemtic Name: [2-[3-[methyl(phenyl)amino]propylamino]-2-oxidanylidene-ethyl] 2-chloranylquinoline-4-carboxylate Openeye Name: [2-[3-(N-methylanilino)propylamino]-2-oxo-ethyl] 2-chloroquinoline-4-carboxylate CAS Name: 2-chloro-4-quinolinecarboxylic acid [2-[3-(N-methylanilino)propylamino]-2-oxoethyl] ester IUPAC Name: [2-[3-(N-methylanilino)propylamino]-2-oxoethyl] 2-chloroquinoline-4-carboxylate Traditional Name: 2-chlorocinchoninic acid [2-keto-2-[3-(N-methylanilino)propylamino]ethyl] ester Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)Cl)C3=CC=CC=C3

Isomeric SMILES

CN(CCCNC(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)Cl)C3=CC=CC=C3

InChI

InChI=1S/C22H22ClN3O3/c1-26(16-8-3-2-4-9-16)13-7-12-24-21(27)15-29-22(28)18-14-20(23)25-19-11-6-5-10-17(18)19/h2-6,8-11,14H,7,12-13,15H2,1H3,(H,24,27)