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

Systemtic Name: octyl 4-(5-ethylpyrimidin-2-yl)benzoate Openeye Name: octyl 4-(5-ethylpyrimidin-2-yl)benzoate CAS Name: 4-(5-ethyl-2-pyrimidinyl)benzoic acid octyl ester IUPAC Name: octyl 4-(5-ethylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-ethylpyrimidin-2-yl)benzoic acid octyl ester Formula: C21H28N2O2 MolecularWeight: 340.45922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O2/c1-3-5-6-7-8-9-14-25-21(24)19-12-10-18(11-13-19)20-22-15-17(4-2)16-23-20/h10-13,15-16H,3-9,14H2,1-2H3