5,5-dimethyl-2-[[(1S)-1-phenylethyl]iminomethyl]cyclohexane-1,3-dione

Systemtic Name: 5,5-dimethyl-2-[[(1S)-1-phenylethyl]iminomethyl]cyclohexane-1,3-dione Openeye Name: 5,5-dimethyl-2-[[(1S)-1-phenylethyl]iminomethyl]cyclohexane-1,3-dione CAS Name: 5,5-dimethyl-2-[[(1S)-1-phenylethyl]iminomethyl]cyclohexane-1,3-dione IUPAC Name: 5,5-dimethyl-2-[[(1S)-1-phenylethyl]iminomethyl]cyclohexane-1,3-dione Traditional Name: 5,5-dimethyl-2-[[(1S)-1-phenylethyl]iminomethyl]cyclohexane-1,3-quinone Formula: C17H21NO2 MolecularWeight: 271.35414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N=CC2C(=O)CC(CC2=O)(C)C

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)N=CC2C(=O)CC(CC2=O)(C)C

InChI

InChI=1S/C17H21NO2/c1-12(13-7-5-4-6-8-13)18-11-14-15(19)9-17(2,3)10-16(14)20/h4-8,11-12,14H,9-10H2,1-3H3/t12-/m0/s1