2-[4-(4-butoxy-3-oxidanylidene-9-propan-2-yloxy-1H-benzo[f]isoindol-2-yl)phenyl]ethanoic acid

Systemtic Name: 2-[4-(4-butoxy-3-oxidanylidene-9-propan-2-yloxy-1H-benzo[f]isoindol-2-yl)phenyl]ethanoic acid Openeye Name: 2-[4-(4-butoxy-9-isopropoxy-3-oxo-1H-benzo[f]isoindol-2-yl)phenyl]acetic acid CAS Name: 2-[4-(4-butoxy-3-oxo-9-propan-2-yloxy-1H-benzo[f]isoindol-2-yl)phenyl]acetic acid IUPAC Name: 2-[4-(4-butoxy-3-oxo-9-propan-2-yloxy-1H-benzo[f]isoindol-2-yl)phenyl]acetic acid Traditional Name: 2-[4-(4-butoxy-9-isopropoxy-3-keto-1H-benz[f]isoindol-2-yl)phenyl]acetic acid Formula: C27H29NO5 MolecularWeight: 447.52286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C2C(=C(C3=CC=CC=C31)OC(C)C)CN(C2=O)C4=CC=C(C=C4)CC(=O)O

Isomeric SMILES

CCCCOC1=C2C(=C(C3=CC=CC=C31)OC(C)C)CN(C2=O)C4=CC=C(C=C4)CC(=O)O

InChI

InChI=1S/C27H29NO5/c1-4-5-14-32-26-21-9-7-6-8-20(21)25(33-17(2)3)22-16-28(27(31)24(22)26)19-12-10-18(11-13-19)15-23(29)30/h6-13,17H,4-5,14-16H2,1-3H3,(H,29,30)