5-[[4-(5-fluoranyl-2-oxidanyl-phenyl)-4-methyl-2-oxidanyl-2-(1-phenylethyl)pentyl]amino]-3H-2-benzofuran-1-one

Systemtic Name: 5-[[4-(5-fluoranyl-2-oxidanyl-phenyl)-4-methyl-2-oxidanyl-2-(1-phenylethyl)pentyl]amino]-3H-2-benzofuran-1-one Openeye Name: 5-[[4-(5-fluoro-2-hydroxy-phenyl)-2-hydroxy-4-methyl-2-(1-phenylethyl)pentyl]amino]-3H-isobenzofuran-1-one CAS Name: 5-[[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(1-phenylethyl)pentyl]amino]-3H-isobenzofuran-1-one IUPAC Name: 5-[[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(1-phenylethyl)pentyl]amino]-3H-2-benzofuran-1-one Traditional Name: 5-[[4-(5-fluoro-2-hydroxy-phenyl)-2-hydroxy-4-methyl-2-(1-phenylethyl)pentyl]amino]phthalide Formula: C28H30FNO4 MolecularWeight: 463.540503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C(CC(C)(C)C2=C(C=CC(=C2)F)O)(CNC3=CC4=C(C=C3)C(=O)OC4)O

Isomeric SMILES

CC(C1=CC=CC=C1)C(CC(C)(C)C2=C(C=CC(=C2)F)O)(CNC3=CC4=C(C=C3)C(=O)OC4)O

InChI

InChI=1S/C28H30FNO4/c1-18(19-7-5-4-6-8-19)28(33,16-27(2,3)24-14-21(29)9-12-25(24)31)17-30-22-10-11-23-20(13-22)15-34-26(23)32/h4-14,18,30-31,33H,15-17H2,1-3H3