[4-(5-octoxypyrimidin-2-yl)phenyl] 3-methylheptanoate

Systemtic Name: [4-(5-octoxypyrimidin-2-yl)phenyl] 3-methylheptanoate Openeye Name: [4-(5-octoxypyrimidin-2-yl)phenyl] 3-methylheptanoate CAS Name: 3-methylheptanoic acid [4-(5-octoxy-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-octoxypyrimidin-2-yl)phenyl] 3-methylheptanoate Traditional Name: 3-methylenanthic acid [4-(5-octoxypyrimidin-2-yl)phenyl] ester Formula: C26H38N2O3 MolecularWeight: 426.59152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CC(C)CCCC

Isomeric SMILES

CCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CC(C)CCCC

InChI

InChI=1S/C26H38N2O3/c1-4-6-8-9-10-11-17-30-24-19-27-26(28-20-24)22-13-15-23(16-14-22)31-25(29)18-21(3)12-7-5-2/h13-16,19-21H,4-12,17-18H2,1-3H3