4-[4-fluoranyl-2-methyl-1-(4-oxidanyl-4-oxidanylidene-butyl)-7-[2-[4-[4-[2,3,4,5,6-pentakis(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-[2,3,4,5,6-pentakis(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-(2,3,4,5,6-pentafluorophenyl)butoxy]phenyl]ethynyl]indol-3-yl]butanoic acid CAS Name: 4-[4-fluoro-1-(4-hydroxy-4-oxobutyl)-2-methyl-7-[2-[4-[4-(2,3,4,5,6-pentafluorophenyl)butoxy]phenyl]ethynyl]-3-indolyl]butanoic acid IUPAC Name: 4-[4-fluoro-1-(4-hydroxy-4-oxobutyl)-2-methyl-7-[2-[4-[4-(2,3,4,5,6-pentafluorophenyl)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-(2,3,4,5,6-pentafluorophenyl)butoxy]phenyl]ethynyl]indol-3-yl]butyric acid Formula: C35H31F6NO5 MolecularWeight: 659.614759

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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)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)F)CCCC(=O)O

InChI

InChI=1S/C35H31F6NO5/c1-20-24(7-4-8-27(43)44)29-26(36)17-14-22(35(29)42(20)18-5-9-28(45)46)13-10-21-11-15-23(16-12-21)47-19-3-2-6-25-30(37)32(39)34(41)33(40)31(25)38/h11-12,14-17H,2-9,18-19H2,1H3,(H,43,44)(H,45,46)