(E)-4-(2,6-dimethylphenoxy)-2,2-dimethyl-5-pyridin-3-yl-pent-4-ene-1,3-diol

Systemtic Name: (E)-4-(2,6-dimethylphenoxy)-2,2-dimethyl-5-pyridin-3-yl-pent-4-ene-1,3-diol Openeye Name: (E)-4-(2,6-dimethylphenoxy)-2,2-dimethyl-5-(3-pyridyl)pent-4-ene-1,3-diol CAS Name: (E)-4-(2,6-dimethylphenoxy)-2,2-dimethyl-5-(3-pyridinyl)-4-pentene-1,3-diol IUPAC Name: (E)-4-(2,6-dimethylphenoxy)-2,2-dimethyl-5-pyridin-3-ylpent-4-ene-1,3-diol Traditional Name: (E)-4-(2,6-dimethylphenoxy)-2,2-dimethyl-5-(3-pyridyl)pent-4-ene-1,3-diol Formula: C20H25NO3 MolecularWeight: 327.4174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC(=CC2=CN=CC=C2)C(C(C)(C)CO)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)O/C(=C/C2=CN=CC=C2)/C(C(C)(C)CO)O

InChI

InChI=1S/C20H25NO3/c1-14-7-5-8-15(2)18(14)24-17(19(23)20(3,4)13-22)11-16-9-6-10-21-12-16/h5-12,19,22-23H,13H2,1-4H3/b17-11+