(2-chloranyl-7,8-dimethyl-quinolin-3-yl)methyl 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: (2-chloranyl-7,8-dimethyl-quinolin-3-yl)methyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: (2-chloro-7,8-dimethyl-3-quinolyl)methyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid (2-chloro-7,8-dimethyl-3-quinolinyl)methyl ester IUPAC Name: (2-chloro-7,8-dimethylquinolin-3-yl)methyl 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid (2-chloro-7,8-dimethyl-3-quinolyl)methyl ester Formula: C22H18ClN3O3 MolecularWeight: 407.84962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C=C2C=C1)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N)Cl)C

Isomeric SMILES

CC1=C(C2=NC(=C(C=C2C=C1)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N)Cl)C

InChI

InChI=1S/C22H18ClN3O3/c1-13-3-4-16-11-17(21(23)26-20(16)14(13)2)12-29-22(28)15-5-7-18(8-6-15)25-19(27)9-10-24/h3-8,11H,9,12H2,1-2H3,(H,25,27)