1-[4-[4-(5-octylpyrimidin-2-yl)phenyl]phenoxy]propan-2-yl pentanoate

Systemtic Name: 1-[4-[4-(5-octylpyrimidin-2-yl)phenyl]phenoxy]propan-2-yl pentanoate Openeye Name: [1-methyl-2-[4-[4-(5-octylpyrimidin-2-yl)phenyl]phenoxy]ethyl] pentanoate CAS Name: pentanoic acid 1-[4-[4-(5-octyl-2-pyrimidinyl)phenyl]phenoxy]propan-2-yl ester IUPAC Name: 1-[4-[4-(5-octylpyrimidin-2-yl)phenyl]phenoxy]propan-2-yl pentanoate Traditional Name: valeric acid [1-methyl-2-[4-[4-(5-octylpyrimidin-2-yl)phenyl]phenoxy]ethyl] ester Formula: C32H42N2O3 MolecularWeight: 502.68748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)OCC(C)OC(=O)CCCC

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)OCC(C)OC(=O)CCCC

InChI

InChI=1S/C32H42N2O3/c1-4-6-8-9-10-11-12-26-22-33-32(34-23-26)29-16-14-27(15-17-29)28-18-20-30(21-19-28)36-24-25(3)37-31(35)13-7-5-2/h14-23,25H,4-13,24H2,1-3H3