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

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxylate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxylate CAS Name: 2-(3-chlorophenyl)-3-methyl-4-quinolinecarboxylic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate Traditional Name: 2-(3-chlorophenyl)-3-methyl-cinchoninic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C23H20ClN3O3 MolecularWeight: 421.8762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N=C1C3=CC(=CC=C3)Cl)C(=O)OCC(=O)N(C)CCC#N

Isomeric SMILES

CC1=C(C2=CC=CC=C2N=C1C3=CC(=CC=C3)Cl)C(=O)OCC(=O)N(C)CCC#N

InChI

InChI=1S/C23H20ClN3O3/c1-15-21(23(29)30-14-20(28)27(2)12-6-11-25)18-9-3-4-10-19(18)26-22(15)16-7-5-8-17(24)13-16/h3-5,7-10,13H,6,12,14H2,1-2H3