[1-(2,3-dihydroindol-1-yl)-1-oxidanylidene-propan-2-yl] 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: [1-(2,3-dihydroindol-1-yl)-1-oxidanylidene-propan-2-yl] 4-(2-cyanoethanoylamino)benzoate Openeye Name: (2-indolin-1-yl-1-methyl-2-oxo-ethyl) 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid (2-indolin-1-yl-2-keto-1-methyl-ethyl) ester Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C21)OC(=O)C3=CC=C(C=C3)NC(=O)CC#N

Isomeric SMILES

CC(C(=O)N1CCC2=CC=CC=C21)OC(=O)C3=CC=C(C=C3)NC(=O)CC#N

InChI

InChI=1S/C21H19N3O4/c1-14(20(26)24-13-11-15-4-2-3-5-18(15)24)28-21(27)16-6-8-17(9-7-16)23-19(25)10-12-22/h2-9,14H,10-11,13H2,1H3,(H,23,25)