2-[2-(4-butoxyphenoxy)ethyl]-3-oxidanyl-3-phenyl-isoindol-1-one

Systemtic Name: 2-[2-(4-butoxyphenoxy)ethyl]-3-oxidanyl-3-phenyl-isoindol-1-one Openeye Name: 2-[2-(4-butoxyphenoxy)ethyl]-3-hydroxy-3-phenyl-isoindolin-1-one CAS Name: 2-[2-(4-butoxyphenoxy)ethyl]-3-hydroxy-3-phenyl-1-isoindolone IUPAC Name: 2-[2-(4-butoxyphenoxy)ethyl]-3-hydroxy-3-phenylisoindol-1-one Traditional Name: 2-[2-(4-butoxyphenoxy)ethyl]-3-hydroxy-3-phenyl-isoindolin-1-one Formula: C26H27NO4 MolecularWeight: 417.49688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)OCCN2C(=O)C3=CC=CC=C3C2(C4=CC=CC=C4)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)OCCN2C(=O)C3=CC=CC=C3C2(C4=CC=CC=C4)O

InChI

InChI=1S/C26H27NO4/c1-2-3-18-30-21-13-15-22(16-14-21)31-19-17-27-25(28)23-11-7-8-12-24(23)26(27,29)20-9-5-4-6-10-20/h4-16,29H,2-3,17-19H2,1H3