[4-[2-(4-hexoxyphenyl)pyrimidin-5-yl]phenyl] 6-methyldodecanoate

Systemtic Name: [4-[2-(4-hexoxyphenyl)pyrimidin-5-yl]phenyl] 6-methyldodecanoate Openeye Name: [4-[2-(4-hexoxyphenyl)pyrimidin-5-yl]phenyl] 6-methyldodecanoate CAS Name: 6-methyldodecanoic acid [4-[2-(4-hexoxyphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-hexoxyphenyl)pyrimidin-5-yl]phenyl] 6-methyldodecanoate Traditional Name: 6-methyllauric acid [4-[2-(4-hexoxyphenyl)pyrimidin-5-yl]phenyl] ester Formula: C35H48N2O3 MolecularWeight: 544.76722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)CCCCC(=O)OC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OCCCCCC

Isomeric SMILES

CCCCCCC(C)CCCCC(=O)OC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OCCCCCC

InChI

InChI=1S/C35H48N2O3/c1-4-6-8-10-14-28(3)15-11-12-16-34(38)40-33-23-17-29(18-24-33)31-26-36-35(37-27-31)30-19-21-32(22-20-30)39-25-13-9-7-5-2/h17-24,26-28H,4-16,25H2,1-3H3