methyl 3-[[(6-oxidanylidenepyran-3-yl)carbonylamino]methyl]-5-(2-phenylethanoylamino)benzoate

Systemtic Name: methyl 3-[[(6-oxidanylidenepyran-3-yl)carbonylamino]methyl]-5-(2-phenylethanoylamino)benzoate Openeye Name: methyl 3-[[(6-oxopyran-3-carbonyl)amino]methyl]-5-[(2-phenylacetyl)amino]benzoate CAS Name: 3-[[[oxo-(6-oxo-3-pyranyl)methyl]amino]methyl]-5-[(1-oxo-2-phenylethyl)amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[(6-oxopyran-3-carbonyl)amino]methyl]-5-[(2-phenylacetyl)amino]benzoate Traditional Name: 3-[[(6-ketopyran-3-carbonyl)amino]methyl]-5-[(2-phenylacetyl)amino]benzoic acid methyl ester Formula: C23H20N2O6 MolecularWeight: 420.4147

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CC2=CC=CC=C2)CNC(=O)C3=COC(=O)C=C3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CC2=CC=CC=C2)CNC(=O)C3=COC(=O)C=C3

InChI

InChI=1S/C23H20N2O6/c1-30-23(29)18-9-16(13-24-22(28)17-7-8-21(27)31-14-17)10-19(12-18)25-20(26)11-15-5-3-2-4-6-15/h2-10,12,14H,11,13H2,1H3,(H,24,28)(H,25,26)