2-butyl-3-[1-oxidanyl-1-[2,3,5-tris(fluoranyl)phenyl]but-3-en-2-yl]-3H-isoindol-1-one

Systemtic Name: 2-butyl-3-[1-oxidanyl-1-[2,3,5-tris(fluoranyl)phenyl]but-3-en-2-yl]-3H-isoindol-1-one Openeye Name: 2-butyl-3-[1-[hydroxy-(2,3,5-trifluorophenyl)methyl]allyl]isoindolin-1-one CAS Name: 2-butyl-3-[1-hydroxy-1-(2,3,5-trifluorophenyl)but-3-en-2-yl]-3H-isoindol-1-one IUPAC Name: 2-butyl-3-[1-hydroxy-1-(2,3,5-trifluorophenyl)but-3-en-2-yl]-3H-isoindol-1-one Traditional Name: 2-butyl-3-[1-[hydroxy-(2,3,5-trifluorophenyl)methyl]allyl]isoindolin-1-one Formula: C22H22F3NO2 MolecularWeight: 389.41079

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C2=CC=CC=C2C1=O)C(C=C)C(C3=CC(=CC(=C3F)F)F)O

Isomeric SMILES

CCCCN1C(C2=CC=CC=C2C1=O)C(C=C)C(C3=CC(=CC(=C3F)F)F)O

InChI

InChI=1S/C22H22F3NO2/c1-3-5-10-26-20(15-8-6-7-9-16(15)22(26)28)14(4-2)21(27)17-11-13(23)12-18(24)19(17)25/h4,6-9,11-12,14,20-21,27H,2-3,5,10H2,1H3