5,5-dimethyl-2-[[(2S)-2-oxidanyl-2-phenyl-ethyl]iminomethyl]cyclohexane-1,3-dione

Systemtic Name: 5,5-dimethyl-2-[[(2S)-2-oxidanyl-2-phenyl-ethyl]iminomethyl]cyclohexane-1,3-dione Openeye Name: 2-[[(2S)-2-hydroxy-2-phenyl-ethyl]iminomethyl]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[[(2S)-2-hydroxy-2-phenylethyl]iminomethyl]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[[(2S)-2-hydroxy-2-phenylethyl]iminomethyl]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[[(2S)-2-hydroxy-2-phenyl-ethyl]iminomethyl]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C17H21NO3 MolecularWeight: 287.35354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1(CC(=O)C(C(=O)C1)C=NC[C@H](C2=CC=CC=C2)O)C

InChI

InChI=1S/C17H21NO3/c1-17(2)8-14(19)13(15(20)9-17)10-18-11-16(21)12-6-4-3-5-7-12/h3-7,10,13,16,21H,8-9,11H2,1-2H3/t16-/m1/s1