2-[1-(butan-2-ylamino)butylidene]-5-phenyl-cyclohexane-1,3-dione

Systemtic Name: 2-[1-(butan-2-ylamino)butylidene]-5-phenyl-cyclohexane-1,3-dione Openeye Name: 5-phenyl-2-[1-(sec-butylamino)butylidene]cyclohexane-1,3-dione CAS Name: 2-[1-(butan-2-ylamino)butylidene]-5-phenylcyclohexane-1,3-dione IUPAC Name: 2-[1-(butan-2-ylamino)butylidene]-5-phenylcyclohexane-1,3-dione Traditional Name: 5-phenyl-2-[1-(sec-butylamino)butylidene]cyclohexane-1,3-quinone Formula: C20H27NO2 MolecularWeight: 313.43388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=C1C(=O)CC(CC1=O)C2=CC=CC=C2)NC(C)CC

Isomeric SMILES

CCCC(=C1C(=O)CC(CC1=O)C2=CC=CC=C2)NC(C)CC

InChI

InChI=1S/C20H27NO2/c1-4-9-17(21-14(3)5-2)20-18(22)12-16(13-19(20)23)15-10-7-6-8-11-15/h6-8,10-11,14,16,21H,4-5,9,12-13H2,1-3H3