[4-[5-(2-hexoxyethoxy)pyrimidin-2-yl]phenyl] 4-methylhexanoate

Systemtic Name: [4-[5-(2-hexoxyethoxy)pyrimidin-2-yl]phenyl] 4-methylhexanoate Openeye Name: [4-[5-(2-hexoxyethoxy)pyrimidin-2-yl]phenyl] 4-methylhexanoate CAS Name: 4-methylhexanoic acid [4-[5-(2-hexoxyethoxy)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[5-(2-hexoxyethoxy)pyrimidin-2-yl]phenyl] 4-methylhexanoate Traditional Name: 4-methylhexanoic acid [4-[5-(2-hexoxyethoxy)pyrimidin-2-yl]phenyl] ester Formula: C25H36N2O4 MolecularWeight: 428.56434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCC(C)CC

Isomeric SMILES

CCCCCCOCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCC(C)CC

InChI

InChI=1S/C25H36N2O4/c1-4-6-7-8-15-29-16-17-30-23-18-26-25(27-19-23)21-10-12-22(13-11-21)31-24(28)14-9-20(3)5-2/h10-13,18-20H,4-9,14-17H2,1-3H3