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

Systemtic Name: ethyl 4-(5-pentylpyrimidin-2-yl)benzoate Openeye Name: ethyl 4-(5-pentylpyrimidin-2-yl)benzoate CAS Name: 4-(5-pentyl-2-pyrimidinyl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(5-pentylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-amylpyrimidin-2-yl)benzoic acid ethyl ester Formula: C18H22N2O2 MolecularWeight: 298.37948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C18H22N2O2/c1-3-5-6-7-14-12-19-17(20-13-14)15-8-10-16(11-9-15)18(21)22-4-2/h8-13H,3-7H2,1-2H3