2-[4-(4,9-diethoxy-6-methoxy-1-oxidanylidene-3H-benzo[f]isoindol-2-yl)phenyl]ethanoic acid

Systemtic Name: 2-[4-(4,9-diethoxy-6-methoxy-1-oxidanylidene-3H-benzo[f]isoindol-2-yl)phenyl]ethanoic acid Openeye Name: 2-[4-(4,9-diethoxy-6-methoxy-1-oxo-3H-benzo[f]isoindol-2-yl)phenyl]acetic acid CAS Name: 2-[4-(4,9-diethoxy-6-methoxy-1-oxo-3H-benzo[f]isoindol-2-yl)phenyl]acetic acid IUPAC Name: 2-[4-(4,9-diethoxy-6-methoxy-1-oxo-3H-benzo[f]isoindol-2-yl)phenyl]acetic acid Traditional Name: 2-[4-(4,9-diethoxy-1-keto-6-methoxy-3H-benz[f]isoindol-2-yl)phenyl]acetic acid Formula: C25H25NO6 MolecularWeight: 435.4691

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2CN(C(=O)C2=C(C3=C1C=C(C=C3)OC)OCC)C4=CC=C(C=C4)CC(=O)O

Isomeric SMILES

CCOC1=C2CN(C(=O)C2=C(C3=C1C=C(C=C3)OC)OCC)C4=CC=C(C=C4)CC(=O)O

InChI

InChI=1S/C25H25NO6/c1-4-31-23-19-13-17(30-3)10-11-18(19)24(32-5-2)22-20(23)14-26(25(22)29)16-8-6-15(7-9-16)12-21(27)28/h6-11,13H,4-5,12,14H2,1-3H3,(H,27,28)