2-[4-acetamido-2-chloranyl-5-[(2R)-3-(5-fluoranylspiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-oxidanyl-propoxy]phenoxy]ethanoic acid

Systemtic Name: 2-[4-acetamido-2-chloranyl-5-[(2R)-3-(5-fluoranylspiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-oxidanyl-propoxy]phenoxy]ethanoic acid Openeye Name: 2-[4-acetamido-2-chloro-5-[(2R)-3-(5-fluorospiro[3H-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxy-propoxy]phenoxy]acetic acid CAS Name: 2-[4-acetamido-2-chloro-5-[(2R)-3-(5-fluoro-1'-spiro[3H-benzofuran-2,4'-piperidine]yl)-2-hydroxypropoxy]phenoxy]acetic acid IUPAC Name: 2-[4-acetamido-2-chloro-5-[(2R)-3-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]phenoxy]acetic acid Traditional Name: 2-[4-acetamido-2-chloro-5-[(2R)-3-(5-fluorospiro[coumaran-2,4'-piperidine]-1'-yl)-2-hydroxy-propoxy]phenoxy]acetic acid Formula: C25H28ClFN2O7 MolecularWeight: 522.950423

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1OCC(CN2CCC3(CC2)CC4=C(O3)C=CC(=C4)F)O)OCC(=O)O)Cl

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1OC[C@@H](CN2CCC3(CC2)CC4=C(O3)C=CC(=C4)F)O)OCC(=O)O)Cl

InChI

InChI=1S/C25H28ClFN2O7/c1-15(30)28-20-9-19(26)22(35-14-24(32)33)10-23(20)34-13-18(31)12-29-6-4-25(5-7-29)11-16-8-17(27)2-3-21(16)36-25/h2-3,8-10,18,31H,4-7,11-14H2,1H3,(H,28,30)(H,32,33)/t18-/m1/s1