diethyl (2E,11E)-7-(1-oxidanyl-3-oxidanylidene-1H-isoindol-2-yl)trideca-2,11-dienedioate

Systemtic Name: diethyl (2E,11E)-7-(1-oxidanyl-3-oxidanylidene-1H-isoindol-2-yl)trideca-2,11-dienedioate Openeye Name: diethyl (2E,11E)-7-(1-hydroxy-3-oxo-isoindolin-2-yl)trideca-2,11-dienedioate CAS Name: (2E,11E)-7-(1-hydroxy-3-oxo-1H-isoindol-2-yl)trideca-2,11-dienedioic acid diethyl ester IUPAC Name: diethyl (2E,11E)-7-(1-hydroxy-3-oxo-1H-isoindol-2-yl)trideca-2,11-dienedioate Traditional Name: (2E,11E)-7-(1-hydroxy-3-keto-isoindolin-2-yl)trideca-2,11-dienedioic acid diethyl ester Formula: C25H33NO6 MolecularWeight: 443.53262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CCCCC(CCCC=CC(=O)OCC)N1C(C2=CC=CC=C2C1=O)O

Isomeric SMILES

CCOC(=O)/C=C/CCCC(N1C(=O)C2=CC=CC=C2C1O)CCC/C=C/C(=O)OCC

InChI

InChI=1S/C25H33NO6/c1-3-31-22(27)17-9-5-7-13-19(14-8-6-10-18-23(28)32-4-2)26-24(29)20-15-11-12-16-21(20)25(26)30/h9-12,15-19,24,29H,3-8,13-14H2,1-2H3/b17-9+,18-10+