[2-[(4-dimethylaminophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 2-chloranylquinoline-4-carboxylate

Systemtic Name: [2-[(4-dimethylaminophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 2-chloranylquinoline-4-carboxylate Openeye Name: [2-[(4-dimethylaminophenyl)methyl-methyl-amino]-2-oxo-ethyl] 2-chloroquinoline-4-carboxylate CAS Name: 2-chloro-4-quinolinecarboxylic acid [2-[(4-dimethylaminophenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-dimethylaminophenyl)methyl-methylamino]-2-oxoethyl] 2-chloroquinoline-4-carboxylate Traditional Name: 2-chlorocinchoninic acid [2-[[4-(dimethylamino)benzyl]-methyl-amino]-2-keto-ethyl] ester Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CN(C)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)Cl

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CN(C)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)Cl

InChI

InChI=1S/C22H22ClN3O3/c1-25(2)16-10-8-15(9-11-16)13-26(3)21(27)14-29-22(28)18-12-20(23)24-19-7-5-4-6-17(18)19/h4-12H,13-14H2,1-3H3