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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=CC=C(C=C1)C2=NC=C(C=N2)OCC(C)CC

Isomeric SMILES

CCCCCCCC(=O)OC1=CC=C(C=C1)C2=NC=C(C=N2)OCC(C)CC

InChI

InChI=1S/C23H32N2O3/c1-4-6-7-8-9-10-22(26)28-20-13-11-19(12-14-20)23-24-15-21(16-25-23)27-17-18(3)5-2/h11-16,18H,4-10,17H2,1-3H3