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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCC(C)CC

Isomeric SMILES

CCCCCCCOCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCC(C)CC

InChI

InChI=1S/C25H36N2O4/c1-4-6-7-8-9-16-29-19-30-23-17-26-25(27-18-23)21-11-13-22(14-12-21)31-24(28)15-10-20(3)5-2/h11-14,17-18,20H,4-10,15-16,19H2,1-3H3