[4-[5-(3-pentoxypropoxy)pyrimidin-2-yl]phenyl] 6-methyloctanoate

Systemtic Name: [4-[5-(3-pentoxypropoxy)pyrimidin-2-yl]phenyl] 6-methyloctanoate Openeye Name: [4-[5-(3-pentoxypropoxy)pyrimidin-2-yl]phenyl] 6-methyloctanoate CAS Name: 6-methyloctanoic acid [4-[5-(3-pentoxypropoxy)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[5-(3-pentoxypropoxy)pyrimidin-2-yl]phenyl] 6-methyloctanoate Traditional Name: 6-methylcaprylic acid [4-[5-(3-amoxypropoxy)pyrimidin-2-yl]phenyl] ester Formula: C27H40N2O4 MolecularWeight: 456.6175

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCCCC(C)CC

Isomeric SMILES

CCCCCOCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCCCC(C)CC

InChI

InChI=1S/C27H40N2O4/c1-4-6-9-17-31-18-10-19-32-25-20-28-27(29-21-25)23-13-15-24(16-14-23)33-26(30)12-8-7-11-22(3)5-2/h13-16,20-22H,4-12,17-19H2,1-3H3