6-[[5,5-dimethyl-3-oxidanylidene-2-(phenylcarbonyl)cyclohexen-1-yl]amino]hexanoic acid

Systemtic Name: 6-[[5,5-dimethyl-3-oxidanylidene-2-(phenylcarbonyl)cyclohexen-1-yl]amino]hexanoic acid Openeye Name: 6-[(2-benzoyl-5,5-dimethyl-3-oxo-cyclohexen-1-yl)amino]hexanoic acid CAS Name: 6-[(2-benzoyl-5,5-dimethyl-3-oxo-1-cyclohexenyl)amino]hexanoic acid IUPAC Name: 6-[(2-benzoyl-5,5-dimethyl-3-oxocyclohexen-1-yl)amino]hexanoic acid Traditional Name: 6-[(2-benzoyl-3-keto-5,5-dimethyl-cyclohexen-1-yl)amino]hexanoic acid Formula: C21H27NO4 MolecularWeight: 357.44338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C(=O)C2=CC=CC=C2)NCCCCCC(=O)O)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)C(=O)C2=CC=CC=C2)NCCCCCC(=O)O)C

InChI

InChI=1S/C21H27NO4/c1-21(2)13-16(22-12-8-4-7-11-18(24)25)19(17(23)14-21)20(26)15-9-5-3-6-10-15/h3,5-6,9-10,22H,4,7-8,11-14H2,1-2H3,(H,24,25)