2-[(2S,3S)-5-methyl-2-oxidanyl-1-phenyl-hexan-3-yl]isoindole-1,3-dione

Systemtic Name: 2-[(2S,3S)-5-methyl-2-oxidanyl-1-phenyl-hexan-3-yl]isoindole-1,3-dione Openeye Name: 2-[(1S)-1-[(1S)-1-hydroxy-2-phenyl-ethyl]-3-methyl-butyl]isoindoline-1,3-dione CAS Name: 2-[(2S,3S)-2-hydroxy-5-methyl-1-phenylhexan-3-yl]isoindole-1,3-dione IUPAC Name: 2-[(2S,3S)-2-hydroxy-5-methyl-1-phenylhexan-3-yl]isoindole-1,3-dione Traditional Name: 2-[(1S)-1-[(1S)-1-hydroxy-2-phenyl-ethyl]-3-methyl-butyl]isoindoline-1,3-quinone Formula: C21H23NO3 MolecularWeight: 337.41222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CC1=CC=CC=C1)O)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(C)C[C@@H]([C@H](CC1=CC=CC=C1)O)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H23NO3/c1-14(2)12-18(19(23)13-15-8-4-3-5-9-15)22-20(24)16-10-6-7-11-17(16)21(22)25/h3-11,14,18-19,23H,12-13H2,1-2H3/t18-,19-/m0/s1