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

Systemtic Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 2-methylpentanoate Openeye Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 2-methylpentanoate CAS Name: 2-methylpentanoic acid [4-(5-hexyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 2-methylpentanoate Traditional Name: 2-methylvaleric acid [4-(5-hexylpyrimidin-2-yl)phenyl] ester Formula: C22H30N2O2 MolecularWeight: 354.4858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C)CCC

Isomeric SMILES

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C)CCC

InChI

InChI=1S/C22H30N2O2/c1-4-6-7-8-10-18-15-23-21(24-16-18)19-11-13-20(14-12-19)26-22(25)17(3)9-5-2/h11-17H,4-10H2,1-3H3