2-azanyl-5-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]hexane-1,3-diol

Systemtic Name: 2-azanyl-5-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]hexane-1,3-diol Openeye Name: 2-amino-5-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]hexane-1,3-diol CAS Name: 2-amino-5-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]hexane-1,3-diol IUPAC Name: 2-amino-5-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]hexane-1,3-diol Traditional Name: 2-amino-5-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]hexane-1,3-diol Formula: C20H21F6NO3 MolecularWeight: 437.376059

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C(CO)N)O)C1=CC=C(C=C1)OC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC(CC(C(CO)N)O)C1=CC=C(C=C1)OC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C20H21F6NO3/c1-11(6-18(29)17(27)10-28)12-2-4-15(5-3-12)30-16-8-13(19(21,22)23)7-14(9-16)20(24,25)26/h2-5,7-9,11,17-18,28-29H,6,10,27H2,1H3