2-[(E,2S)-4-(2,5-dimethoxyphenyl)-1-oxidanyl-but-3-en-2-yl]isoindole-1,3-dione

Systemtic Name: 2-[(E,2S)-4-(2,5-dimethoxyphenyl)-1-oxidanyl-but-3-en-2-yl]isoindole-1,3-dione Openeye Name: 2-[(E,1S)-3-(2,5-dimethoxyphenyl)-1-(hydroxymethyl)allyl]isoindoline-1,3-dione CAS Name: 2-[(E,2S)-4-(2,5-dimethoxyphenyl)-1-hydroxybut-3-en-2-yl]isoindole-1,3-dione IUPAC Name: 2-[(E,2S)-4-(2,5-dimethoxyphenyl)-1-hydroxybut-3-en-2-yl]isoindole-1,3-dione Traditional Name: 2-[(E,1S)-3-(2,5-dimethoxyphenyl)-1-methylol-allyl]isoindoline-1,3-quinone Formula: C20H19NO5 MolecularWeight: 353.36856

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C=CC(CO)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)/C=C/[C@@H](CO)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C20H19NO5/c1-25-15-9-10-18(26-2)13(11-15)7-8-14(12-22)21-19(23)16-5-3-4-6-17(16)20(21)24/h3-11,14,22H,12H2,1-2H3/b8-7+/t14-/m0/s1