3-[2-[(1S,2S)-1,3-bis(oxidanyl)-1-phenyl-propan-2-yl]-1-oxidanylidene-3H-isoindol-5-yl]-N-cyclopropyl-4-methyl-benzamide

Systemtic Name: 3-[2-[(1S,2S)-1,3-bis(oxidanyl)-1-phenyl-propan-2-yl]-1-oxidanylidene-3H-isoindol-5-yl]-N-cyclopropyl-4-methyl-benzamide Openeye Name: N-cyclopropyl-3-[2-[(1S,2S)-2-hydroxy-1-(hydroxymethyl)-2-phenyl-ethyl]-1-oxo-isoindolin-5-yl]-4-methyl-benzamide CAS Name: N-cyclopropyl-3-[2-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-1-oxo-3H-isoindol-5-yl]-4-methylbenzamide IUPAC Name: N-cyclopropyl-3-[2-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-1-oxo-3H-isoindol-5-yl]-4-methylbenzamide Traditional Name: N-cyclopropyl-3-[2-[(1S,2S)-2-hydroxy-1-methylol-2-phenyl-ethyl]-1-keto-isoindolin-5-yl]-4-methyl-benzamide Formula: C28H28N2O4 MolecularWeight: 456.53292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)C3=CC4=C(C=C3)C(=O)N(C4)C(CO)C(C5=CC=CC=C5)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)C3=CC4=C(C=C3)C(=O)N(C4)[C@@H](CO)[C@H](C5=CC=CC=C5)O

InChI

InChI=1S/C28H28N2O4/c1-17-7-8-20(27(33)29-22-10-11-22)14-24(17)19-9-12-23-21(13-19)15-30(28(23)34)25(16-31)26(32)18-5-3-2-4-6-18/h2-9,12-14,22,25-26,31-32H,10-11,15-16H2,1H3,(H,29,33)/t25-,26-/m0/s1