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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25NO5/c1-3-13-31-23-18-7-5-6-8-19(18)24(30-4-2)22-20(23)15-26(25(22)29)17-11-9-16(10-12-17)14-21(27)28/h5-12H,3-4,13-15H2,1-2H3,(H,27,28)