ethyl 2-(4-chloranylphenoxy)-2-methyl-propanoate; pyridin-3-ylmethanol

Systemtic Name: ethyl 2-(4-chloranylphenoxy)-2-methyl-propanoate; pyridin-3-ylmethanol Openeye Name: ethyl 2-(4-chlorophenoxy)-2-methyl-propanoate; 3-pyridylmethanol CAS Name: 2-(4-chlorophenoxy)-2-methylpropanoic acid ethyl ester; 3-pyridinylmethanol IUPAC Name: ethyl 2-(4-chlorophenoxy)-2-methylpropanoate; pyridin-3-ylmethanol Traditional Name: 2-(4-chlorophenoxy)-2-methyl-propionic acid ethyl ester; 3-pyridylmethanol Formula: C18H22ClNO4 MolecularWeight: 351.82458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)OC1=CC=C(C=C1)Cl.C1=CC(=CN=C1)CO

Isomeric SMILES

CCOC(=O)C(C)(C)OC1=CC=C(C=C1)Cl.C1=CC(=CN=C1)CO

InChI

InChI=1S/C12H15ClO3.C6H7NO/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10;8-5-6-2-1-3-7-4-6/h5-8H,4H2,1-3H3;1-4,8H,5H2