(4-tert-butylphenyl)methyl 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: (4-tert-butylphenyl)methyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: (4-tert-butylphenyl)methyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid (4-tert-butylbenzyl) ester Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N

InChI

InChI=1S/C21H22N2O3/c1-21(2,3)17-8-4-15(5-9-17)14-26-20(25)16-6-10-18(11-7-16)23-19(24)12-13-22/h4-11H,12,14H2,1-3H3,(H,23,24)