4-[1-fluoranyl-3-[7-fluoranyl-2-[(5-fluoranyl-2-methyl-phenyl)amino]-1,3-benzoxazol-6-yl]-2-oxidanylidene-1-pyrrolidin-1-yl-propoxy]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[1-fluoranyl-3-[7-fluoranyl-2-[(5-fluoranyl-2-methyl-phenyl)amino]-1,3-benzoxazol-6-yl]-2-oxidanylidene-1-pyrrolidin-1-yl-propoxy]cyclohexane-1-carboxylic acid Openeye Name: 4-[1-fluoro-3-[7-fluoro-2-(5-fluoro-2-methyl-anilino)-1,3-benzoxazol-6-yl]-2-oxo-1-pyrrolidin-1-yl-propoxy]cyclohexanecarboxylic acid CAS Name: 4-[1-fluoro-3-[7-fluoro-2-(5-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-2-oxo-1-(1-pyrrolidinyl)propoxy]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[1-fluoro-3-[7-fluoro-2-(5-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-2-oxo-1-pyrrolidin-1-ylpropoxy]cyclohexane-1-carboxylic acid Traditional Name: 4-[1-fluoro-3-[7-fluoro-2-(5-fluoro-2-methyl-anilino)-1,3-benzoxazol-6-yl]-2-keto-1-pyrrolidino-propoxy]cyclohexanecarboxylic acid Formula: C28H30F3N3O5 MolecularWeight: 545.55011

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)NC2=NC3=C(O2)C(=C(C=C3)CC(=O)C(N4CCCC4)(OC5CCC(CC5)C(=O)O)F)F

Isomeric SMILES

CC1=C(C=C(C=C1)F)NC2=NC3=C(O2)C(=C(C=C3)CC(=O)C(N4CCCC4)(OC5CCC(CC5)C(=O)O)F)F

InChI

InChI=1S/C28H30F3N3O5/c1-16-4-8-19(29)15-22(16)33-27-32-21-11-7-18(24(30)25(21)38-27)14-23(35)28(31,34-12-2-3-13-34)39-20-9-5-17(6-10-20)26(36)37/h4,7-8,11,15,17,20H,2-3,5-6,9-10,12-14H2,1H3,(H,32,33)(H,36,37)