2-(butylaminomethylidene)-5-phenyl-cyclohexane-1,3-dione

Systemtic Name: 2-(butylaminomethylidene)-5-phenyl-cyclohexane-1,3-dione Openeye Name: 2-(butylaminomethylene)-5-phenyl-cyclohexane-1,3-dione CAS Name: 2-(butylaminomethylidene)-5-phenylcyclohexane-1,3-dione IUPAC Name: 2-(butylaminomethylidene)-5-phenylcyclohexane-1,3-dione Traditional Name: 2-(butylaminomethylene)-5-phenyl-cyclohexane-1,3-quinone Formula: C17H21NO2 MolecularWeight: 271.35414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC=C1C(=O)CC(CC1=O)C2=CC=CC=C2

Isomeric SMILES

CCCCNC=C1C(=O)CC(CC1=O)C2=CC=CC=C2

InChI

InChI=1S/C17H21NO2/c1-2-3-9-18-12-15-16(19)10-14(11-17(15)20)13-7-5-4-6-8-13/h4-8,12,14,18H,2-3,9-11H2,1H3