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

Systemtic Name: ethyl 4-[3-bromanyl-5-fluoranyl-4-[3-(pyridin-2-ylamino)propoxy]phenyl]-3,3-dimethyl-butanoate Openeye Name: ethyl 4-[3-bromo-5-fluoro-4-[3-(2-pyridylamino)propoxy]phenyl]-3,3-dimethyl-butanoate CAS Name: 4-[3-bromo-5-fluoro-4-[3-(2-pyridinylamino)propoxy]phenyl]-3,3-dimethylbutanoic acid ethyl ester IUPAC Name: ethyl 4-[3-bromo-5-fluoro-4-[3-(pyridin-2-ylamino)propoxy]phenyl]-3,3-dimethylbutanoate Traditional Name: 4-[3-bromo-5-fluoro-4-[3-(2-pyridylamino)propoxy]phenyl]-3,3-dimethyl-butyric acid ethyl ester Formula: C22H28BrFN2O3 MolecularWeight: 467.371723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28BrFN2O3/c1-4-28-20(27)15-22(2,3)14-16-12-17(23)21(18(24)13-16)29-11-7-10-26-19-8-5-6-9-25-19/h5-6,8-9,12-13H,4,7,10-11,14-15H2,1-3H3,(H,25,26)