[4-[2-(4-octoxyphenyl)pyrimidin-5-yl]phenyl] 6-methyltridecanoate

Systemtic Name: [4-[2-(4-octoxyphenyl)pyrimidin-5-yl]phenyl] 6-methyltridecanoate Openeye Name: [4-[2-(4-octoxyphenyl)pyrimidin-5-yl]phenyl] 6-methyltridecanoate CAS Name: 6-methyltridecanoic acid [4-[2-(4-octoxyphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-octoxyphenyl)pyrimidin-5-yl]phenyl] 6-methyltridecanoate Traditional Name: 6-methyltridecanoic acid [4-[2-(4-octoxyphenyl)pyrimidin-5-yl]phenyl] ester Formula: C38H54N2O3 MolecularWeight: 586.84696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCCCC(C)CCCCCCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCCCC(C)CCCCCCC

InChI

InChI=1S/C38H54N2O3/c1-4-6-8-10-12-16-28-42-35-24-22-33(23-25-35)38-39-29-34(30-40-38)32-20-26-36(27-21-32)43-37(41)19-15-14-18-31(3)17-13-11-9-7-5-2/h20-27,29-31H,4-19,28H2,1-3H3