[4-(5-dodecoxypyrimidin-2-yl)phenyl] 6-methyloctanoate

Systemtic Name: [4-(5-dodecoxypyrimidin-2-yl)phenyl] 6-methyloctanoate Openeye Name: [4-(5-dodecoxypyrimidin-2-yl)phenyl] 6-methyloctanoate CAS Name: 6-methyloctanoic acid [4-(5-dodecoxy-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-dodecoxypyrimidin-2-yl)phenyl] 6-methyloctanoate Traditional Name: 6-methylcaprylic acid [4-(5-lauryloxypyrimidin-2-yl)phenyl] ester Formula: C31H48N2O3 MolecularWeight: 496.72442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCCCC(C)CC

Isomeric SMILES

CCCCCCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCCCC(C)CC

InChI

InChI=1S/C31H48N2O3/c1-4-6-7-8-9-10-11-12-13-16-23-35-29-24-32-31(33-25-29)27-19-21-28(22-20-27)36-30(34)18-15-14-17-26(3)5-2/h19-22,24-26H,4-18,23H2,1-3H3