1-[4-[2-(4-octylphenyl)pyrimidin-4-yl]phenoxy]propan-2-yl hexanoate

Systemtic Name: 1-[4-[2-(4-octylphenyl)pyrimidin-4-yl]phenoxy]propan-2-yl hexanoate Openeye Name: [1-methyl-2-[4-[2-(4-octylphenyl)pyrimidin-4-yl]phenoxy]ethyl] hexanoate CAS Name: hexanoic acid 1-[4-[2-(4-octylphenyl)-4-pyrimidinyl]phenoxy]propan-2-yl ester IUPAC Name: 1-[4-[2-(4-octylphenyl)pyrimidin-4-yl]phenoxy]propan-2-yl hexanoate Traditional Name: hexanoic acid [1-methyl-2-[4-[2-(4-octylphenyl)pyrimidin-4-yl]phenoxy]ethyl] ester Formula: C33H44N2O3 MolecularWeight: 516.71406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=NC=CC(=N2)C3=CC=C(C=C3)OCC(C)OC(=O)CCCCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=NC=CC(=N2)C3=CC=C(C=C3)OCC(C)OC(=O)CCCCC

InChI

InChI=1S/C33H44N2O3/c1-4-6-8-9-10-12-13-27-15-17-29(18-16-27)33-34-24-23-31(35-33)28-19-21-30(22-20-28)37-25-26(3)38-32(36)14-11-7-5-2/h15-24,26H,4-14,25H2,1-3H3