(2-phenyl-1,3-oxazol-4-yl)methyl 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: (2-phenyl-1,3-oxazol-4-yl)methyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: (2-phenyloxazol-4-yl)methyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid (2-phenyl-4-oxazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-oxazol-4-yl)methyl 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid (2-phenyloxazol-4-yl)methyl ester Formula: C20H15N3O4 MolecularWeight: 361.3508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=CO2)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=CO2)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N

InChI

InChI=1S/C20H15N3O4/c21-11-10-18(24)22-16-8-6-15(7-9-16)20(25)27-13-17-12-26-19(23-17)14-4-2-1-3-5-14/h1-9,12H,10,13H2,(H,22,24)