4-methoxy-4-methyl-2-(4-morpholin-4-ylbut-2-ynyl)-1-phenyl-pentane-1,3-dione

Systemtic Name: 4-methoxy-4-methyl-2-(4-morpholin-4-ylbut-2-ynyl)-1-phenyl-pentane-1,3-dione Openeye Name: 4-methoxy-4-methyl-2-(4-morpholinobut-2-ynyl)-1-phenyl-pentane-1,3-dione CAS Name: 4-methoxy-4-methyl-2-[4-(4-morpholinyl)but-2-ynyl]-1-phenylpentane-1,3-dione IUPAC Name: 4-methoxy-4-methyl-2-(4-morpholin-4-ylbut-2-ynyl)-1-phenylpentane-1,3-dione Traditional Name: 4-methoxy-4-methyl-2-(4-morpholinobut-2-ynyl)-1-phenyl-pentane-1,3-dione Formula: C21H27NO4 MolecularWeight: 357.44338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)C(CC#CCN1CCOCC1)C(=O)C2=CC=CC=C2)OC

Isomeric SMILES

CC(C)(C(=O)C(CC#CCN1CCOCC1)C(=O)C2=CC=CC=C2)OC

InChI

InChI=1S/C21H27NO4/c1-21(2,25-3)20(24)18(19(23)17-9-5-4-6-10-17)11-7-8-12-22-13-15-26-16-14-22/h4-6,9-10,18H,11-16H2,1-3H3