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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C2CN(C(=O)C2=C(C3=CC=CC=C31)OCCC)C4=CC=C(C=C4)CC(=O)O

Isomeric SMILES

CCCOC1=C2CN(C(=O)C2=C(C3=CC=CC=C31)OCCC)C4=CC=C(C=C4)CC(=O)O

InChI

InChI=1S/C26H27NO5/c1-3-13-31-24-19-7-5-6-8-20(19)25(32-14-4-2)23-21(24)16-27(26(23)30)18-11-9-17(10-12-18)15-22(28)29/h5-12H,3-4,13-16H2,1-2H3,(H,28,29)