1-[4-[4-(5-decylpyrimidin-2-yl)phenyl]phenoxy]propan-2-yl hexanoate

Systemtic Name: 1-[4-[4-(5-decylpyrimidin-2-yl)phenyl]phenoxy]propan-2-yl hexanoate Openeye Name: [2-[4-[4-(5-decylpyrimidin-2-yl)phenyl]phenoxy]-1-methyl-ethyl] hexanoate CAS Name: hexanoic acid 1-[4-[4-(5-decyl-2-pyrimidinyl)phenyl]phenoxy]propan-2-yl ester IUPAC Name: 1-[4-[4-(5-decylpyrimidin-2-yl)phenyl]phenoxy]propan-2-yl hexanoate Traditional Name: hexanoic acid [2-[4-[4-(5-decylpyrimidin-2-yl)phenyl]phenoxy]-1-methyl-ethyl] ester Formula: C35H48N2O3 MolecularWeight: 544.76722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)OCC(C)OC(=O)CCCCC

Isomeric SMILES

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)OCC(C)OC(=O)CCCCC

InChI

InChI=1S/C35H48N2O3/c1-4-6-8-9-10-11-12-14-15-29-25-36-35(37-26-29)32-19-17-30(18-20-32)31-21-23-33(24-22-31)39-27-28(3)40-34(38)16-13-7-5-2/h17-26,28H,4-16,27H2,1-3H3