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

Systemtic Name: 4-[2-cyano-4-[3-(pyridin-2-ylamino)propoxy]phenyl]-3,3-dimethyl-butanoic acid Openeye Name: 4-[2-cyano-4-[3-(2-pyridylamino)propoxy]phenyl]-3,3-dimethyl-butanoic acid CAS Name: 4-[2-cyano-4-[3-(2-pyridinylamino)propoxy]phenyl]-3,3-dimethylbutanoic acid IUPAC Name: 4-[2-cyano-4-[3-(pyridin-2-ylamino)propoxy]phenyl]-3,3-dimethylbutanoic acid Traditional Name: 4-[2-cyano-4-[3-(2-pyridylamino)propoxy]phenyl]-3,3-dimethyl-butyric acid Formula: C21H25N3O3 MolecularWeight: 367.4415

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=C(C=C(C=C1)OCCCNC2=CC=CC=N2)C#N)CC(=O)O

Isomeric SMILES

CC(C)(CC1=C(C=C(C=C1)OCCCNC2=CC=CC=N2)C#N)CC(=O)O

InChI

InChI=1S/C21H25N3O3/c1-21(2,14-20(25)26)13-16-7-8-18(12-17(16)15-22)27-11-5-10-24-19-6-3-4-9-23-19/h3-4,6-9,12H,5,10-11,13-14H2,1-2H3,(H,23,24)(H,25,26)