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

Systemtic Name: 2-[4-(4-ethoxy-3-oxidanylidene-9-propyl-1H-benzo[f]isoindol-2-yl)phenyl]ethanoic acid Openeye Name: 2-[4-(4-ethoxy-3-oxo-9-propyl-1H-benzo[f]isoindol-2-yl)phenyl]acetic acid CAS Name: 2-[4-(4-ethoxy-3-oxo-9-propyl-1H-benzo[f]isoindol-2-yl)phenyl]acetic acid IUPAC Name: 2-[4-(4-ethoxy-3-oxo-9-propyl-1H-benzo[f]isoindol-2-yl)phenyl]acetic acid Traditional Name: 2-[4-(4-ethoxy-3-keto-9-propyl-1H-benz[f]isoindol-2-yl)phenyl]acetic acid Formula: C25H25NO4 MolecularWeight: 403.4703

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2CN(C(=O)C2=C(C3=CC=CC=C31)OCC)C4=CC=C(C=C4)CC(=O)O

Isomeric SMILES

CCCC1=C2CN(C(=O)C2=C(C3=CC=CC=C31)OCC)C4=CC=C(C=C4)CC(=O)O

InChI

InChI=1S/C25H25NO4/c1-3-7-18-19-8-5-6-9-20(19)24(30-4-2)23-21(18)15-26(25(23)29)17-12-10-16(11-13-17)14-22(27)28/h5-6,8-13H,3-4,7,14-15H2,1-2H3,(H,27,28)