methyl 2-[[[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]methyl]-4-methyl-quinoline-3-carboxylate

Systemtic Name: methyl 2-[[[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]methyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[[[2-(4-chloroanilino)-2-oxo-ethyl]-methyl-amino]methyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]methyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[[2-(4-chloroanilino)-2-keto-ethyl]-methyl-amino]methyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CN(C)CC(=O)NC3=CC=C(C=C3)Cl)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CN(C)CC(=O)NC3=CC=C(C=C3)Cl)C(=O)OC

InChI

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