(2-phenoxyphenyl)methyl 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: (2-phenoxyphenyl)methyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: (2-phenoxyphenyl)methyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid (2-phenoxyphenyl)methyl ester IUPAC Name: (2-phenoxyphenyl)methyl 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid (2-phenoxybenzyl) ester Formula: C23H18N2O4 MolecularWeight: 386.40002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC=C2COC(=O)C3=CC=C(C=C3)NC(=O)CC#N

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC=C2COC(=O)C3=CC=C(C=C3)NC(=O)CC#N

InChI

InChI=1S/C23H18N2O4/c24-15-14-22(26)25-19-12-10-17(11-13-19)23(27)28-16-18-6-4-5-9-21(18)29-20-7-2-1-3-8-20/h1-13H,14,16H2,(H,25,26)