(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3-methoxy-4-(2-morpholin-4-yl-2-oxidanylidene-ethoxy)benzoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3-methoxy-4-(2-morpholin-4-yl-2-oxidanylidene-ethoxy)benzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 3-methoxy-4-(2-morpholino-2-oxo-ethoxy)benzoate CAS Name: 3-methoxy-4-[2-(4-morpholinyl)-2-oxoethoxy]benzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate Traditional Name: 4-(2-keto-2-morpholino-ethoxy)-3-methoxy-benzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C20H23N3O7 MolecularWeight: 417.41252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=CC(=C(C=C1)OCC(=O)N2CCOCC2)OC

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CC(=C(C=C1)OCC(=O)N2CCOCC2)OC

InChI

InChI=1S/C20H23N3O7/c1-13(22)15(10-21)16(24)11-30-20(26)14-3-4-17(18(9-14)27-2)29-12-19(25)23-5-7-28-8-6-23/h3-4,9,15,22H,5-8,11-12H2,1-2H3