2-[4-(9-butoxy-4-ethoxy-3-oxidanylidene-1H-benzo[f]isoindol-2-yl)phenyl]ethanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C2CN(C(=O)C2=C(C3=CC=CC=C31)OCC)C4=CC=C(C=C4)CC(=O)O

Isomeric SMILES

CCCCOC1=C2CN(C(=O)C2=C(C3=CC=CC=C31)OCC)C4=CC=C(C=C4)CC(=O)O

InChI

InChI=1S/C26H27NO5/c1-3-5-14-32-24-19-8-6-7-9-20(19)25(31-4-2)23-21(24)16-27(26(23)30)18-12-10-17(11-13-18)15-22(28)29/h6-13H,3-5,14-16H2,1-2H3,(H,28,29)