butanoyl 4-(2,6-dimethylpyridin-3-yl)benzoate

Systemtic Name: butanoyl 4-(2,6-dimethylpyridin-3-yl)benzoate Openeye Name: butanoyl 4-(2,6-dimethyl-3-pyridyl)benzoate CAS Name: 4-(2,6-dimethyl-3-pyridinyl)benzoic acid 1-oxobutyl ester IUPAC Name: butanoyl 4-(2,6-dimethylpyridin-3-yl)benzoate Traditional Name: 4-(2,6-dimethyl-3-pyridyl)benzoic acid butyryl ester Formula: C18H19NO3 MolecularWeight: 297.34836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC(=O)C1=CC=C(C=C1)C2=C(N=C(C=C2)C)C

Isomeric SMILES

CCCC(=O)OC(=O)C1=CC=C(C=C1)C2=C(N=C(C=C2)C)C

InChI

InChI=1S/C18H19NO3/c1-4-5-17(20)22-18(21)15-9-7-14(8-10-15)16-11-6-12(2)19-13(16)3/h6-11H,4-5H2,1-3H3