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

Systemtic Name: ethyl 4-[3-fluoranyl-4-[3-(pyridin-2-ylamino)propoxy]phenyl]-3,3-dimethyl-butanoate Openeye Name: ethyl 4-[3-fluoro-4-[3-(2-pyridylamino)propoxy]phenyl]-3,3-dimethyl-butanoate CAS Name: 4-[3-fluoro-4-[3-(2-pyridinylamino)propoxy]phenyl]-3,3-dimethylbutanoic acid ethyl ester IUPAC Name: ethyl 4-[3-fluoro-4-[3-(pyridin-2-ylamino)propoxy]phenyl]-3,3-dimethylbutanoate Traditional Name: 4-[3-fluoro-4-[3-(2-pyridylamino)propoxy]phenyl]-3,3-dimethyl-butyric acid ethyl ester Formula: C22H29FN2O3 MolecularWeight: 388.475663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29FN2O3/c1-4-27-21(26)16-22(2,3)15-17-9-10-19(18(23)14-17)28-13-7-12-25-20-8-5-6-11-24-20/h5-6,8-11,14H,4,7,12-13,15-16H2,1-3H3,(H,24,25)