1-[2-(4-dodecylphenyl)-4-phenyl-pyrimidin-5-yl]oxypropan-2-yl 2-butoxypropanoate

Systemtic Name: 1-[2-(4-dodecylphenyl)-4-phenyl-pyrimidin-5-yl]oxypropan-2-yl 2-butoxypropanoate Openeye Name: [2-[2-(4-dodecylphenyl)-4-phenyl-pyrimidin-5-yl]oxy-1-methyl-ethyl] 2-butoxypropanoate CAS Name: 2-butoxypropanoic acid 1-[[2-(4-dodecylphenyl)-4-phenyl-5-pyrimidinyl]oxy]propan-2-yl ester IUPAC Name: 1-[2-(4-dodecylphenyl)-4-phenylpyrimidin-5-yl]oxypropan-2-yl 2-butoxypropanoate Traditional Name: 2-butoxypropionic acid [2-[2-(4-laurylphenyl)-4-phenyl-pyrimidin-5-yl]oxy-1-methyl-ethyl] ester Formula: C38H54N2O4 MolecularWeight: 602.84636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C(=N2)C3=CC=CC=C3)OCC(C)OC(=O)C(C)OCCCC

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C(=N2)C3=CC=CC=C3)OCC(C)OC(=O)C(C)OCCCC

InChI

InChI=1S/C38H54N2O4/c1-5-7-9-10-11-12-13-14-15-17-20-32-23-25-34(26-24-32)37-39-28-35(36(40-37)33-21-18-16-19-22-33)43-29-30(3)44-38(41)31(4)42-27-8-6-2/h16,18-19,21-26,28,30-31H,5-15,17,20,27,29H2,1-4H3