[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxidanylidene-propan-2-yl] 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxidanylidene-propan-2-yl] 4-(2-cyanoethanoylamino)benzoate Openeye Name: [2-(3,4-dihydro-2H-quinolin-1-yl)-1-methyl-2-oxo-ethyl] 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC2=CC=CC=C21)OC(=O)C3=CC=C(C=C3)NC(=O)CC#N

Isomeric SMILES

CC(C(=O)N1CCCC2=CC=CC=C21)OC(=O)C3=CC=C(C=C3)NC(=O)CC#N

InChI

InChI=1S/C22H21N3O4/c1-15(21(27)25-14-4-6-16-5-2-3-7-19(16)25)29-22(28)17-8-10-18(11-9-17)24-20(26)12-13-23/h2-3,5,7-11,15H,4,6,12,14H2,1H3,(H,24,26)