1-[4-[4-(5-octoxypyrimidin-2-yl)phenyl]phenoxy]propan-2-yl heptanoate

Systemtic Name: 1-[4-[4-(5-octoxypyrimidin-2-yl)phenyl]phenoxy]propan-2-yl heptanoate Openeye Name: [1-methyl-2-[4-[4-(5-octoxypyrimidin-2-yl)phenyl]phenoxy]ethyl] heptanoate CAS Name: heptanoic acid 1-[4-[4-(5-octoxy-2-pyrimidinyl)phenyl]phenoxy]propan-2-yl ester IUPAC Name: 1-[4-[4-(5-octoxypyrimidin-2-yl)phenyl]phenoxy]propan-2-yl heptanoate Traditional Name: enanthic acid [1-methyl-2-[4-[4-(5-octoxypyrimidin-2-yl)phenyl]phenoxy]ethyl] ester Formula: C34H46N2O4 MolecularWeight: 546.74004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)OCC(C)OC(=O)CCCCCC

Isomeric SMILES

CCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)OCC(C)OC(=O)CCCCCC

InChI

InChI=1S/C34H46N2O4/c1-4-6-8-10-11-13-23-38-32-24-35-34(36-25-32)30-17-15-28(16-18-30)29-19-21-31(22-20-29)39-26-27(3)40-33(37)14-12-9-7-5-2/h15-22,24-25,27H,4-14,23,26H2,1-3H3