2-[(3S)-6,7-bis(oxidanyl)-2-oxidanylidene-1-(phenylmethyl)azepan-3-yl]isoindole-1,3-dione

Systemtic Name: 2-[(3S)-6,7-bis(oxidanyl)-2-oxidanylidene-1-(phenylmethyl)azepan-3-yl]isoindole-1,3-dione Openeye Name: 2-[(3S)-1-benzyl-6,7-dihydroxy-2-oxo-azepan-3-yl]isoindoline-1,3-dione CAS Name: 2-[(3S)-6,7-dihydroxy-2-oxo-1-(phenylmethyl)-3-azepanyl]isoindole-1,3-dione IUPAC Name: 2-[(3S)-1-benzyl-6,7-dihydroxy-2-oxoazepan-3-yl]isoindole-1,3-dione Traditional Name: 2-[(3S)-1-benzyl-6,7-dihydroxy-2-keto-azepan-3-yl]isoindoline-1,3-quinone Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)N(C(C1O)O)CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CC(C(N(C(=O)[C@H]1N2C(=O)C3=CC=CC=C3C2=O)CC4=CC=CC=C4)O)O

InChI

InChI=1S/C21H20N2O5/c24-17-11-10-16(23-18(25)14-8-4-5-9-15(14)19(23)26)20(27)22(21(17)28)12-13-6-2-1-3-7-13/h1-9,16-17,21,24,28H,10-12H2/t16-,17?,21?/m0/s1