N-(3-ethyl-2-morpholin-4-yl-pentyl)-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide

Systemtic Name: N-(3-ethyl-2-morpholin-4-yl-pentyl)-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: N-(3-ethyl-2-morpholino-pentyl)-1-oxo-isochromane-3-carboxamide CAS Name: N-[3-ethyl-2-(4-morpholinyl)pentyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-(3-ethyl-2-morpholin-4-ylpentyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: N-(3-ethyl-2-morpholino-pentyl)-1-keto-isochroman-3-carboxamide Formula: C21H30N2O4 MolecularWeight: 374.4739

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(CNC(=O)C1CC2=CC=CC=C2C(=O)O1)N3CCOCC3

Isomeric SMILES

CCC(CC)C(CNC(=O)C1CC2=CC=CC=C2C(=O)O1)N3CCOCC3

InChI

InChI=1S/C21H30N2O4/c1-3-15(4-2)18(23-9-11-26-12-10-23)14-22-20(24)19-13-16-7-5-6-8-17(16)21(25)27-19/h5-8,15,18-19H,3-4,9-14H2,1-2H3,(H,22,24)