4-[3-bromanyl-5-fluoranyl-4-[3-(pyridin-2-ylamino)propoxy]phenyl]-3,3-dimethyl-butanoic acid

Systemtic Name: 4-[3-bromanyl-5-fluoranyl-4-[3-(pyridin-2-ylamino)propoxy]phenyl]-3,3-dimethyl-butanoic acid Openeye Name: 4-[3-bromo-5-fluoro-4-[3-(2-pyridylamino)propoxy]phenyl]-3,3-dimethyl-butanoic acid CAS Name: 4-[3-bromo-5-fluoro-4-[3-(2-pyridinylamino)propoxy]phenyl]-3,3-dimethylbutanoic acid IUPAC Name: 4-[3-bromo-5-fluoro-4-[3-(pyridin-2-ylamino)propoxy]phenyl]-3,3-dimethylbutanoic acid Traditional Name: 4-[3-bromo-5-fluoro-4-[3-(2-pyridylamino)propoxy]phenyl]-3,3-dimethyl-butyric acid Formula: C20H24BrFN2O3 MolecularWeight: 439.318563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC(=C(C(=C1)Br)OCCCNC2=CC=CC=N2)F)CC(=O)O

Isomeric SMILES

CC(C)(CC1=CC(=C(C(=C1)Br)OCCCNC2=CC=CC=N2)F)CC(=O)O

InChI

InChI=1S/C20H24BrFN2O3/c1-20(2,13-18(25)26)12-14-10-15(21)19(16(22)11-14)27-9-5-8-24-17-6-3-4-7-23-17/h3-4,6-7,10-11H,5,8-9,12-13H2,1-2H3,(H,23,24)(H,25,26)