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

Systemtic Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 2-methylpentanoate Openeye Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 2-methylpentanoate CAS Name: 2-methylpentanoic acid [4-(5-nonyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 2-methylpentanoate Traditional Name: 2-methylvaleric acid [4-(5-nonylpyrimidin-2-yl)phenyl] ester Formula: C25H36N2O2 MolecularWeight: 396.56554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C)CCC

Isomeric SMILES

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C)CCC

InChI

InChI=1S/C25H36N2O2/c1-4-6-7-8-9-10-11-13-21-18-26-24(27-19-21)22-14-16-23(17-15-22)29-25(28)20(3)12-5-2/h14-20H,4-13H2,1-3H3