[2-[5-(2-methylbutoxy)pyrimidin-4-yl]phenyl] octanoate

Systemtic Name: [2-[5-(2-methylbutoxy)pyrimidin-4-yl]phenyl] octanoate Openeye Name: [2-[5-(2-methylbutoxy)pyrimidin-4-yl]phenyl] octanoate CAS Name: octanoic acid [2-[5-(2-methylbutoxy)-4-pyrimidinyl]phenyl] ester IUPAC Name: [2-[5-(2-methylbutoxy)pyrimidin-4-yl]phenyl] octanoate Traditional Name: caprylic acid [2-[5-(2-methylbutoxy)pyrimidin-4-yl]phenyl] ester Formula: C23H32N2O3 MolecularWeight: 384.51178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=CC=CC=C1C2=NC=NC=C2OCC(C)CC

Isomeric SMILES

CCCCCCCC(=O)OC1=CC=CC=C1C2=NC=NC=C2OCC(C)CC

InChI

InChI=1S/C23H32N2O3/c1-4-6-7-8-9-14-22(26)28-20-13-11-10-12-19(20)23-21(15-24-17-25-23)27-16-18(3)5-2/h10-13,15,17-18H,4-9,14,16H2,1-3H3