2-[4-(4,9-diethoxy-3-oxidanylidene-1H-benzo[f]isoindol-2-yl)-3,5-dimethyl-phenyl]ethanoic acid

Systemtic Name: 2-[4-(4,9-diethoxy-3-oxidanylidene-1H-benzo[f]isoindol-2-yl)-3,5-dimethyl-phenyl]ethanoic acid Openeye Name: 2-[4-(4,9-diethoxy-3-oxo-1H-benzo[f]isoindol-2-yl)-3,5-dimethyl-phenyl]acetic acid CAS Name: 2-[4-(4,9-diethoxy-3-oxo-1H-benzo[f]isoindol-2-yl)-3,5-dimethylphenyl]acetic acid IUPAC Name: 2-[4-(4,9-diethoxy-3-oxo-1H-benzo[f]isoindol-2-yl)-3,5-dimethylphenyl]acetic acid Traditional Name: 2-[4-(4,9-diethoxy-3-keto-1H-benz[f]isoindol-2-yl)-3,5-dimethyl-phenyl]acetic acid Formula: C26H27NO5 MolecularWeight: 433.49628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2CN(C(=O)C2=C(C3=CC=CC=C31)OCC)C4=C(C=C(C=C4C)CC(=O)O)C

Isomeric SMILES

CCOC1=C2CN(C(=O)C2=C(C3=CC=CC=C31)OCC)C4=C(C=C(C=C4C)CC(=O)O)C

InChI

InChI=1S/C26H27NO5/c1-5-31-24-18-9-7-8-10-19(18)25(32-6-2)22-20(24)14-27(26(22)30)23-15(3)11-17(12-16(23)4)13-21(28)29/h7-12H,5-6,13-14H2,1-4H3,(H,28,29)