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

Systemtic Name: 2-[3-bromanyl-4-(3-oxidanylidene-4,9-dipropoxy-1H-benzo[f]isoindol-2-yl)phenyl]ethanoic acid Openeye Name: 2-[3-bromo-4-(3-oxo-4,9-dipropoxy-1H-benzo[f]isoindol-2-yl)phenyl]acetic acid CAS Name: 2-[3-bromo-4-(3-oxo-4,9-dipropoxy-1H-benzo[f]isoindol-2-yl)phenyl]acetic acid IUPAC Name: 2-[3-bromo-4-(3-oxo-4,9-dipropoxy-1H-benzo[f]isoindol-2-yl)phenyl]acetic acid Traditional Name: 2-[3-bromo-4-(3-keto-4,9-dipropoxy-1H-benz[f]isoindol-2-yl)phenyl]acetic acid Formula: C26H26BrNO5 MolecularWeight: 512.39234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26BrNO5/c1-3-11-32-24-17-7-5-6-8-18(17)25(33-12-4-2)23-19(24)15-28(26(23)31)21-10-9-16(13-20(21)27)14-22(29)30/h5-10,13H,3-4,11-12,14-15H2,1-2H3,(H,29,30)