(2S)-2-[4-fluoranyl-3-[1-(6-methoxy-1,2-benzoxazol-3-yl)-2-methyl-5-(trifluoromethyloxy)indol-3-yl]oxy-phenoxy]butanoic acid

Systemtic Name: (2S)-2-[4-fluoranyl-3-[1-(6-methoxy-1,2-benzoxazol-3-yl)-2-methyl-5-(trifluoromethyloxy)indol-3-yl]oxy-phenoxy]butanoic acid Openeye Name: (2S)-2-[4-fluoro-3-[1-(6-methoxy-1,2-benzoxazol-3-yl)-2-methyl-5-(trifluoromethoxy)indol-3-yl]oxy-phenoxy]butanoic acid CAS Name: (2S)-2-[4-fluoro-3-[[1-(6-methoxy-1,2-benzoxazol-3-yl)-2-methyl-5-(trifluoromethoxy)-3-indolyl]oxy]phenoxy]butanoic acid IUPAC Name: (2S)-2-[4-fluoro-3-[1-(6-methoxy-1,2-benzoxazol-3-yl)-2-methyl-5-(trifluoromethoxy)indol-3-yl]oxyphenoxy]butanoic acid Traditional Name: (2S)-2-[4-fluoro-3-[1-(6-methoxyindoxazen-3-yl)-2-methyl-5-(trifluoromethoxy)indol-3-yl]oxy-phenoxy]butyric acid Formula: C28H22F4N2O7 MolecularWeight: 574.477093

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)OC1=CC(=C(C=C1)F)OC2=C(N(C3=C2C=C(C=C3)OC(F)(F)F)C4=NOC5=C4C=CC(=C5)OC)C

Isomeric SMILES

CC[C@@H](C(=O)O)OC1=CC(=C(C=C1)F)OC2=C(N(C3=C2C=C(C=C3)OC(F)(F)F)C4=NOC5=C4C=CC(=C5)OC)C

InChI

InChI=1S/C28H22F4N2O7/c1-4-22(27(35)36)38-16-6-9-20(29)24(13-16)39-25-14(2)34(21-10-7-17(11-19(21)25)40-28(30,31)32)26-18-8-5-15(37-3)12-23(18)41-33-26/h5-13,22H,4H2,1-3H3,(H,35,36)/t22-/m0/s1