4-[4-fluoranyl-2-methyl-1-(4-oxidanyl-4-oxidanylidene-butyl)-7-[2-[4-[4-[2,3,4,6-tetrakis(fluoranyl)phenyl]butoxy]phenyl]ethynyl]indol-3-yl]butanoic acid

Systemtic Name: 4-[4-fluoranyl-2-methyl-1-(4-oxidanyl-4-oxidanylidene-butyl)-7-[2-[4-[4-[2,3,4,6-tetrakis(fluoranyl)phenyl]butoxy]phenyl]ethynyl]indol-3-yl]butanoic acid Openeye Name: 4-[4-fluoro-1-(4-hydroxy-4-oxo-butyl)-2-methyl-7-[2-[4-[4-(2,3,4,6-tetrafluorophenyl)butoxy]phenyl]ethynyl]indol-3-yl]butanoic acid CAS Name: 4-[4-fluoro-1-(4-hydroxy-4-oxobutyl)-2-methyl-7-[2-[4-[4-(2,3,4,6-tetrafluorophenyl)butoxy]phenyl]ethynyl]-3-indolyl]butanoic acid IUPAC Name: 4-[4-fluoro-1-(4-hydroxy-4-oxobutyl)-2-methyl-7-[2-[4-[4-(2,3,4,6-tetrafluorophenyl)butoxy]phenyl]ethynyl]indol-3-yl]butanoic acid Traditional Name: 4-[4-fluoro-1-(4-hydroxy-4-keto-butyl)-2-methyl-7-[2-[4-[4-(2,3,4,6-tetrafluorophenyl)butoxy]phenyl]ethynyl]indol-3-yl]butyric acid Formula: C35H32F5NO5 MolecularWeight: 641.624296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=CC(=C2N1CCCC(=O)O)C#CC3=CC=C(C=C3)OCCCCC4=C(C(=C(C=C4F)F)F)F)F)CCCC(=O)O

Isomeric SMILES

CC1=C(C2=C(C=CC(=C2N1CCCC(=O)O)C#CC3=CC=C(C=C3)OCCCCC4=C(C(=C(C=C4F)F)F)F)F)CCCC(=O)O

InChI

InChI=1S/C35H32F5NO5/c1-21-25(7-4-8-30(42)43)32-27(36)17-14-23(35(32)41(21)18-5-9-31(44)45)13-10-22-11-15-24(16-12-22)46-19-3-2-6-26-28(37)20-29(38)34(40)33(26)39/h11-12,14-17,20H,2-9,18-19H2,1H3,(H,42,43)(H,44,45)