[4-[2-(4-nonoxyphenyl)pyrimidin-5-yl]phenyl] 2-methyloctanoate

Systemtic Name: [4-[2-(4-nonoxyphenyl)pyrimidin-5-yl]phenyl] 2-methyloctanoate Openeye Name: [4-[2-(4-nonoxyphenyl)pyrimidin-5-yl]phenyl] 2-methyloctanoate CAS Name: 2-methyloctanoic acid [4-[2-(4-nonoxyphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-nonoxyphenyl)pyrimidin-5-yl]phenyl] 2-methyloctanoate Traditional Name: 2-methylcaprylic acid [4-[2-(4-nonoxyphenyl)pyrimidin-5-yl]phenyl] ester Formula: C34H46N2O3 MolecularWeight: 530.74064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)C(C)CCCCCC

Isomeric SMILES

CCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)C(C)CCCCCC

InChI

InChI=1S/C34H46N2O3/c1-4-6-8-10-11-12-14-24-38-31-20-18-29(19-21-31)33-35-25-30(26-36-33)28-16-22-32(23-17-28)39-34(37)27(3)15-13-9-7-5-2/h16-23,25-27H,4-15,24H2,1-3H3