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

Systemtic Name: [2-[5-(heptoxymethyl)pyrimidin-4-yl]phenyl] 6-methyloctanoate Openeye Name: [2-[5-(heptoxymethyl)pyrimidin-4-yl]phenyl] 6-methyloctanoate CAS Name: 6-methyloctanoic acid [2-[5-(heptoxymethyl)-4-pyrimidinyl]phenyl] ester IUPAC Name: [2-[5-(heptoxymethyl)pyrimidin-4-yl]phenyl] 6-methyloctanoate Traditional Name: 6-methylcaprylic acid [2-[5-(heptoxymethyl)pyrimidin-4-yl]phenyl] ester Formula: C27H40N2O3 MolecularWeight: 440.6181

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOCC1=CN=CN=C1C2=CC=CC=C2OC(=O)CCCCC(C)CC

Isomeric SMILES

CCCCCCCOCC1=CN=CN=C1C2=CC=CC=C2OC(=O)CCCCC(C)CC

InChI

InChI=1S/C27H40N2O3/c1-4-6-7-8-13-18-31-20-23-19-28-21-29-27(23)24-15-10-11-16-25(24)32-26(30)17-12-9-14-22(3)5-2/h10-11,15-16,19,21-22H,4-9,12-14,17-18,20H2,1-3H3