1-[2-(4-hexylphenyl)-4-phenyl-pyrimidin-5-yl]oxypropan-2-yl 2-propoxypropanoate

Systemtic Name: 1-[2-(4-hexylphenyl)-4-phenyl-pyrimidin-5-yl]oxypropan-2-yl 2-propoxypropanoate Openeye Name: [2-[2-(4-hexylphenyl)-4-phenyl-pyrimidin-5-yl]oxy-1-methyl-ethyl] 2-propoxypropanoate CAS Name: 2-propoxypropanoic acid 1-[[2-(4-hexylphenyl)-4-phenyl-5-pyrimidinyl]oxy]propan-2-yl ester IUPAC Name: 1-[2-(4-hexylphenyl)-4-phenylpyrimidin-5-yl]oxypropan-2-yl 2-propoxypropanoate Traditional Name: 2-propoxypropionic acid [2-[2-(4-hexylphenyl)-4-phenyl-pyrimidin-5-yl]oxy-1-methyl-ethyl] ester Formula: C31H40N2O4 MolecularWeight: 504.6603

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=NC=C(C(=N2)C3=CC=CC=C3)OCC(C)OC(=O)C(C)OCCC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=NC=C(C(=N2)C3=CC=CC=C3)OCC(C)OC(=O)C(C)OCCC

InChI

InChI=1S/C31H40N2O4/c1-5-7-8-10-13-25-16-18-27(19-17-25)30-32-21-28(29(33-30)26-14-11-9-12-15-26)36-22-23(3)37-31(34)24(4)35-20-6-2/h9,11-12,14-19,21,23-24H,5-8,10,13,20,22H2,1-4H3