2-(2-ethyl-4-oxidanylidene-3-phenylmethoxy-pyridin-1-yl)ethyl 2,2-dimethylpropanoate hydrochloride

Systemtic Name: 2-(2-ethyl-4-oxidanylidene-3-phenylmethoxy-pyridin-1-yl)ethyl 2,2-dimethylpropanoate hydrochloride Openeye Name: 2-(3-benzyloxy-2-ethyl-4-oxo-1-pyridyl)ethyl 2,2-dimethylpropanoate hydrochloride CAS Name: 2,2-dimethylpropanoic acid 2-(2-ethyl-4-oxo-3-phenylmethoxy-1-pyridinyl)ethyl ester hydrochloride IUPAC Name: 2-(2-ethyl-4-oxo-3-phenylmethoxypyridin-1-yl)ethyl 2,2-dimethylpropanoate hydrochloride Traditional Name: 2,2-dimethylpropionic acid 2-(3-benzoxy-2-ethyl-4-keto-1-pyridyl)ethyl ester hydrochloride Formula: C21H28ClNO4 MolecularWeight: 393.90432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)C=CN1CCOC(=O)C(C)(C)C)OCC2=CC=CC=C2.Cl

Isomeric SMILES

CCC1=C(C(=O)C=CN1CCOC(=O)C(C)(C)C)OCC2=CC=CC=C2.Cl

InChI

InChI=1S/C21H27NO4.ClH/c1-5-17-19(26-15-16-9-7-6-8-10-16)18(23)11-12-22(17)13-14-25-20(24)21(2,3)4;/h6-12H,5,13-15H2,1-4H3;1H