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

Systemtic Name: [4-(5-octylpyrimidin-2-yl)phenyl] 2-methylpentanoate Openeye Name: [4-(5-octylpyrimidin-2-yl)phenyl] 2-methylpentanoate CAS Name: 2-methylpentanoic acid [4-(5-octyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-octylpyrimidin-2-yl)phenyl] 2-methylpentanoate Traditional Name: 2-methylvaleric acid [4-(5-octylpyrimidin-2-yl)phenyl] ester Formula: C24H34N2O2 MolecularWeight: 382.53896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C)CCC

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C)CCC

InChI

InChI=1S/C24H34N2O2/c1-4-6-7-8-9-10-12-20-17-25-23(26-18-20)21-13-15-22(16-14-21)28-24(27)19(3)11-5-2/h13-19H,4-12H2,1-3H3