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

Systemtic Name: 2-[4-(4,9-diethoxy-6-methyl-3-oxidanylidene-1H-benzo[f]isoindol-2-yl)phenyl]ethanoic acid Openeye Name: 2-[4-(4,9-diethoxy-6-methyl-3-oxo-1H-benzo[f]isoindol-2-yl)phenyl]acetic acid CAS Name: 2-[4-(4,9-diethoxy-6-methyl-3-oxo-1H-benzo[f]isoindol-2-yl)phenyl]acetic acid IUPAC Name: 2-[4-(4,9-diethoxy-6-methyl-3-oxo-1H-benzo[f]isoindol-2-yl)phenyl]acetic acid Traditional Name: 2-[4-(4,9-diethoxy-3-keto-6-methyl-1H-benz[f]isoindol-2-yl)phenyl]acetic acid Formula: C25H25NO5 MolecularWeight: 419.4697

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25NO5/c1-4-30-23-18-11-6-15(3)12-19(18)24(31-5-2)22-20(23)14-26(25(22)29)17-9-7-16(8-10-17)13-21(27)28/h6-12H,4-5,13-14H2,1-3H3,(H,27,28)