(5-ethanoyl-2-ethoxy-phenyl)methyl 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: (5-acetyl-2-ethoxy-phenyl)methyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid (5-acetyl-2-ethoxy-benzyl) ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N

InChI

InChI=1S/C21H20N2O5/c1-3-27-19-9-6-16(14(2)24)12-17(19)13-28-21(26)15-4-7-18(8-5-15)23-20(25)10-11-22/h4-9,12H,3,10,13H2,1-2H3,(H,23,25)