ethyl 4-(5-hexylpyridin-2-yl)benzoate

Systemtic Name: ethyl 4-(5-hexylpyridin-2-yl)benzoate Openeye Name: ethyl 4-(5-hexyl-2-pyridyl)benzoate CAS Name: 4-(5-hexyl-2-pyridinyl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(5-hexylpyridin-2-yl)benzoate Traditional Name: 4-(5-hexyl-2-pyridyl)benzoic acid ethyl ester Formula: C20H25NO2 MolecularWeight: 311.418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C20H25NO2/c1-3-5-6-7-8-16-9-14-19(21-15-16)17-10-12-18(13-11-17)20(22)23-4-2/h9-15H,3-8H2,1-2H3