ethyl 2,2-dimethyl-4-pyridin-4-yl-butanoate

Systemtic Name: ethyl 2,2-dimethyl-4-pyridin-4-yl-butanoate Openeye Name: ethyl 2,2-dimethyl-4-(4-pyridyl)butanoate CAS Name: 2,2-dimethyl-4-pyridin-4-ylbutanoic acid ethyl ester IUPAC Name: ethyl 2,2-dimethyl-4-pyridin-4-ylbutanoate Traditional Name: 2,2-dimethyl-4-(4-pyridyl)butyric acid ethyl ester Formula: C13H19NO2 MolecularWeight: 221.29546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)CCC1=CC=NC=C1

Isomeric SMILES

CCOC(=O)C(C)(C)CCC1=CC=NC=C1

InChI

InChI=1S/C13H19NO2/c1-4-16-12(15)13(2,3)8-5-11-6-9-14-10-7-11/h6-7,9-10H,4-5,8H2,1-3H3