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

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C20H18N2O5 MolecularWeight: 366.36732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O5/c1-13(23)15-5-8-18(26-2)16(11-15)12-27-20(25)14-3-6-17(7-4-14)22-19(24)9-10-21/h3-8,11H,9,12H2,1-2H3,(H,22,24)