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

Systemtic Name: methyl 4-(5-pentylpyrimidin-2-yl)benzoate Openeye Name: methyl 4-(5-pentylpyrimidin-2-yl)benzoate CAS Name: 4-(5-pentyl-2-pyrimidinyl)benzoic acid methyl ester IUPAC Name: methyl 4-(5-pentylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-amylpyrimidin-2-yl)benzoic acid methyl ester Formula: C17H20N2O2 MolecularWeight: 284.3529

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O2/c1-3-4-5-6-13-11-18-16(19-12-13)14-7-9-15(10-8-14)17(20)21-2/h7-12H,3-6H2,1-2H3