2-[4-(3-oxidanylidene-4-propan-2-yloxy-9-propoxy-1H-benzo[f]isoindol-2-yl)phenyl]ethanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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