heptyl 4-(5-ethylpyrimidin-2-yl)benzoate

Systemtic Name: heptyl 4-(5-ethylpyrimidin-2-yl)benzoate Openeye Name: heptyl 4-(5-ethylpyrimidin-2-yl)benzoate CAS Name: 4-(5-ethyl-2-pyrimidinyl)benzoic acid heptyl ester IUPAC Name: heptyl 4-(5-ethylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-ethylpyrimidin-2-yl)benzoic acid heptyl ester Formula: C20H26N2O2 MolecularWeight: 326.43264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=CC=C(C=C1)C2=NC=C(C=N2)CC

Isomeric SMILES

CCCCCCCOC(=O)C1=CC=C(C=C1)C2=NC=C(C=N2)CC

InChI

InChI=1S/C20H26N2O2/c1-3-5-6-7-8-13-24-20(23)18-11-9-17(10-12-18)19-21-14-16(4-2)15-22-19/h9-12,14-15H,3-8,13H2,1-2H3