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

Systemtic Name: 2-[4-(4-butan-2-yloxy-9-ethoxy-3-oxidanylidene-1H-benzo[f]isoindol-2-yl)phenyl]ethanoic acid Openeye Name: 2-[4-(9-ethoxy-3-oxo-4-sec-butoxy-1H-benzo[f]isoindol-2-yl)phenyl]acetic acid CAS Name: 2-[4-(4-butan-2-yloxy-9-ethoxy-3-oxo-1H-benzo[f]isoindol-2-yl)phenyl]acetic acid IUPAC Name: 2-[4-(4-butan-2-yloxy-9-ethoxy-3-oxo-1H-benzo[f]isoindol-2-yl)phenyl]acetic acid Traditional Name: 2-[4-(9-ethoxy-3-keto-4-sec-butoxy-1H-benz[f]isoindol-2-yl)phenyl]acetic acid Formula: C26H27NO5 MolecularWeight: 433.49628

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=C2C(=C(C3=CC=CC=C31)OCC)CN(C2=O)C4=CC=C(C=C4)CC(=O)O

Isomeric SMILES

CCC(C)OC1=C2C(=C(C3=CC=CC=C31)OCC)CN(C2=O)C4=CC=C(C=C4)CC(=O)O

InChI

InChI=1S/C26H27NO5/c1-4-16(3)32-25-20-9-7-6-8-19(20)24(31-5-2)21-15-27(26(30)23(21)25)18-12-10-17(11-13-18)14-22(28)29/h6-13,16H,4-5,14-15H2,1-3H3,(H,28,29)