methyl 3-[4-[2-[(4-cyanophenyl)carbonylamino]-1-oxidanyl-ethyl]phenyl]propanoate

Systemtic Name: methyl 3-[4-[2-[(4-cyanophenyl)carbonylamino]-1-oxidanyl-ethyl]phenyl]propanoate Openeye Name: methyl 3-[4-[2-[(4-cyanobenzoyl)amino]-1-hydroxy-ethyl]phenyl]propanoate CAS Name: 3-[4-[2-[[(4-cyanophenyl)-oxomethyl]amino]-1-hydroxyethyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[2-[(4-cyanobenzoyl)amino]-1-hydroxyethyl]phenyl]propanoate Traditional Name: 3-[4-[2-[(4-cyanobenzoyl)amino]-1-hydroxy-ethyl]phenyl]propionic acid methyl ester Formula: C20H20N2O4 MolecularWeight: 352.3838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)C(CNC(=O)C2=CC=C(C=C2)C#N)O

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)C(CNC(=O)C2=CC=C(C=C2)C#N)O

InChI

InChI=1S/C20H20N2O4/c1-26-19(24)11-6-14-2-7-16(8-3-14)18(23)13-22-20(25)17-9-4-15(12-21)5-10-17/h2-5,7-10,18,23H,6,11,13H2,1H3,(H,22,25)