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

Systemtic Name: 4-[2-bromanyl-4-[3-(pyridin-2-ylamino)propoxy]phenyl]-3,3-dimethyl-butanoic acid Openeye Name: 4-[2-bromo-4-[3-(2-pyridylamino)propoxy]phenyl]-3,3-dimethyl-butanoic acid CAS Name: 4-[2-bromo-4-[3-(2-pyridinylamino)propoxy]phenyl]-3,3-dimethylbutanoic acid IUPAC Name: 4-[2-bromo-4-[3-(pyridin-2-ylamino)propoxy]phenyl]-3,3-dimethylbutanoic acid Traditional Name: 4-[2-bromo-4-[3-(2-pyridylamino)propoxy]phenyl]-3,3-dimethyl-butyric acid Formula: C20H25BrN2O3 MolecularWeight: 421.3281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25BrN2O3/c1-20(2,14-19(24)25)13-15-7-8-16(12-17(15)21)26-11-5-10-23-18-6-3-4-9-22-18/h3-4,6-9,12H,5,10-11,13-14H2,1-2H3,(H,22,23)(H,24,25)