[4-(5-pentylpyrimidin-2-yl)phenyl] 2-methylpentanoate

Systemtic Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 2-methylpentanoate Openeye Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 2-methylpentanoate CAS Name: 2-methylpentanoic acid [4-(5-pentyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 2-methylpentanoate Traditional Name: 2-methylvaleric acid [4-(5-amylpyrimidin-2-yl)phenyl] ester Formula: C21H28N2O2 MolecularWeight: 340.45922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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