[2-[(3-chlorophenyl)-(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2,4-dimethylquinoline-3-carboxylate

Systemtic Name: [2-[(3-chlorophenyl)-(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2,4-dimethylquinoline-3-carboxylate Openeye Name: [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 2,4-dimethylquinoline-3-carboxylate CAS Name: 2,4-dimethyl-3-quinolinecarboxylic acid [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate Traditional Name: 2,4-dimethylquinoline-3-carboxylic acid [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C23H20ClN3O3 MolecularWeight: 421.8762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)C)C(=O)OCC(=O)N(CCC#N)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)C)C(=O)OCC(=O)N(CCC#N)C3=CC(=CC=C3)Cl

InChI

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