(4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C23H26N2O3 MolecularWeight: 378.46414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2=CC=C(C=C2)NC(=O)CC#N)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=CC=C(C=C2)NC(=O)CC#N)C)C(C)(C)C

InChI

InChI=1S/C23H26N2O3/c1-15-12-18(23(3,4)5)13-16(2)20(15)14-28-22(27)17-6-8-19(9-7-17)25-21(26)10-11-24/h6-9,12-13H,10,14H2,1-5H3,(H,25,26)