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

Systemtic Name: [4-(5-butylpyrimidin-2-yl)phenyl] 2-methylpentanoate Openeye Name: [4-(5-butylpyrimidin-2-yl)phenyl] 2-methylpentanoate CAS Name: 2-methylpentanoic acid [4-(5-butyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-butylpyrimidin-2-yl)phenyl] 2-methylpentanoate Traditional Name: 2-methylvaleric acid [4-(5-butylpyrimidin-2-yl)phenyl] ester Formula: C20H26N2O2 MolecularWeight: 326.43264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C)CCC

Isomeric SMILES

CCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C)CCC

InChI

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