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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)C(C)OC(=O)C3=CC=C(C=C3)NC(=O)CC#N

Isomeric SMILES

CC1CC2=CC=CC=C2N1C(=O)C(C)OC(=O)C3=CC=C(C=C3)NC(=O)CC#N

InChI

InChI=1S/C22H21N3O4/c1-14-13-17-5-3-4-6-19(17)25(14)21(27)15(2)29-22(28)16-7-9-18(10-8-16)24-20(26)11-12-23/h3-10,14-15H,11,13H2,1-2H3,(H,24,26)