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

Systemtic Name: 2-[4-(4,9-diethoxy-3-oxidanylidene-1H-benzo[f]isoindol-2-yl)-3-methyl-phenyl]ethanoic acid Openeye Name: 2-[4-(4,9-diethoxy-3-oxo-1H-benzo[f]isoindol-2-yl)-3-methyl-phenyl]acetic acid CAS Name: 2-[4-(4,9-diethoxy-3-oxo-1H-benzo[f]isoindol-2-yl)-3-methylphenyl]acetic acid IUPAC Name: 2-[4-(4,9-diethoxy-3-oxo-1H-benzo[f]isoindol-2-yl)-3-methylphenyl]acetic acid Traditional Name: 2-[4-(4,9-diethoxy-3-keto-1H-benz[f]isoindol-2-yl)-3-methyl-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=CC=CC=C31)OCC)C4=C(C=C(C=C4)CC(=O)O)C

Isomeric SMILES

CCOC1=C2CN(C(=O)C2=C(C3=CC=CC=C31)OCC)C4=C(C=C(C=C4)CC(=O)O)C

InChI

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