[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 4-(2-cyanoethanoylamino)benzoate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N)C)C

InChI

InChI=1S/C21H20N2O4/c1-13-10-15(3)18(11-14(13)2)19(24)12-27-21(26)16-4-6-17(7-5-16)23-20(25)8-9-22/h4-7,10-11H,8,12H2,1-3H3,(H,23,25)