2-[[(2S)-1-oxidanylbutan-2-yl]iminomethyl]-5-phenyl-cyclohexane-1,3-dione

Systemtic Name: 2-[[(2S)-1-oxidanylbutan-2-yl]iminomethyl]-5-phenyl-cyclohexane-1,3-dione Openeye Name: 2-[[(1S)-1-(hydroxymethyl)propyl]iminomethyl]-5-phenyl-cyclohexane-1,3-dione CAS Name: 2-[[(2S)-1-hydroxybutan-2-yl]iminomethyl]-5-phenylcyclohexane-1,3-dione IUPAC Name: 2-[[(2S)-1-hydroxybutan-2-yl]iminomethyl]-5-phenylcyclohexane-1,3-dione Traditional Name: 2-[[(1S)-1-methylolpropyl]iminomethyl]-5-phenyl-cyclohexane-1,3-quinone Formula: C17H21NO3 MolecularWeight: 287.35354

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)N=CC1C(=O)CC(CC1=O)C2=CC=CC=C2

Isomeric SMILES

CC[C@@H](CO)N=CC1C(=O)CC(CC1=O)C2=CC=CC=C2

InChI

InChI=1S/C17H21NO3/c1-2-14(11-19)18-10-15-16(20)8-13(9-17(15)21)12-6-4-3-5-7-12/h3-7,10,13-15,19H,2,8-9,11H2,1H3/t13?,14-,15?/m0/s1