5-[[3,4-bis[bis(fluoranyl)methoxy]phenyl]-(pyridin-3-ylmethyl)amino]-2-[(2R)-2,3-bis(oxidanyl)propoxy]benzoic acid

Systemtic Name: 5-[[3,4-bis[bis(fluoranyl)methoxy]phenyl]-(pyridin-3-ylmethyl)amino]-2-[(2R)-2,3-bis(oxidanyl)propoxy]benzoic acid Openeye Name: 5-[3,4-bis(difluoromethoxy)-N-(3-pyridylmethyl)anilino]-2-[(2R)-2,3-dihydroxypropoxy]benzoic acid CAS Name: 5-[3,4-bis(difluoromethoxy)-N-(3-pyridinylmethyl)anilino]-2-[(2R)-2,3-dihydroxypropoxy]benzoic acid IUPAC Name: 5-[3,4-bis(difluoromethoxy)-N-(pyridin-3-ylmethyl)anilino]-2-[(2R)-2,3-dihydroxypropoxy]benzoic acid Traditional Name: 5-[3,4-bis(difluoromethoxy)-N-(3-pyridylmethyl)anilino]-2-[(2R)-2,3-dihydroxypropoxy]benzoic acid Formula: C24H22F4N2O7 MolecularWeight: 526.434293

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CN(C2=CC(=C(C=C2)OCC(CO)O)C(=O)O)C3=CC(=C(C=C3)OC(F)F)OC(F)F

Isomeric SMILES

C1=CC(=CN=C1)CN(C2=CC(=C(C=C2)OC[C@@H](CO)O)C(=O)O)C3=CC(=C(C=C3)OC(F)F)OC(F)F

InChI

InChI=1S/C24H22F4N2O7/c25-23(26)36-20-6-4-16(9-21(20)37-24(27)28)30(11-14-2-1-7-29-10-14)15-3-5-19(18(8-15)22(33)34)35-13-17(32)12-31/h1-10,17,23-24,31-32H,11-13H2,(H,33,34)/t17-/m1/s1