2-[1-(3,4-diethoxyphenyl)-3-oxidanyl-propyl]isoindole-1,3-dione

Systemtic Name: 2-[1-(3,4-diethoxyphenyl)-3-oxidanyl-propyl]isoindole-1,3-dione Openeye Name: 2-[1-(3,4-diethoxyphenyl)-3-hydroxy-propyl]isoindoline-1,3-dione CAS Name: 2-[1-(3,4-diethoxyphenyl)-3-hydroxypropyl]isoindole-1,3-dione IUPAC Name: 2-[1-(3,4-diethoxyphenyl)-3-hydroxypropyl]isoindole-1,3-dione Traditional Name: 2-[1-(3,4-diethoxyphenyl)-3-hydroxy-propyl]isoindoline-1,3-quinone Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(CCO)N2C(=O)C3=CC=CC=C3C2=O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(CCO)N2C(=O)C3=CC=CC=C3C2=O)OCC

InChI

InChI=1S/C21H23NO5/c1-3-26-18-10-9-14(13-19(18)27-4-2)17(11-12-23)22-20(24)15-7-5-6-8-16(15)21(22)25/h5-10,13,17,23H,3-4,11-12H2,1-2H3