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

Systemtic Name: [4-[4-(5-pentylpyrimidin-2-yl)phenyl]phenyl] 2-methyloctanoate Openeye Name: [4-[4-(5-pentylpyrimidin-2-yl)phenyl]phenyl] 2-methyloctanoate CAS Name: 2-methyloctanoic acid [4-[4-(5-pentyl-2-pyrimidinyl)phenyl]phenyl] ester IUPAC Name: [4-[4-(5-pentylpyrimidin-2-yl)phenyl]phenyl] 2-methyloctanoate Traditional Name: 2-methylcaprylic acid [4-[4-(5-amylpyrimidin-2-yl)phenyl]phenyl] ester Formula: C30H38N2O2 MolecularWeight: 458.63492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)C(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)CCCCC

Isomeric SMILES

CCCCCCC(C)C(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)CCCCC

InChI

InChI=1S/C30H38N2O2/c1-4-6-8-10-11-23(3)30(33)34-28-19-17-26(18-20-28)25-13-15-27(16-14-25)29-31-21-24(22-32-29)12-9-7-5-2/h13-23H,4-12H2,1-3H3