1-[2-(4-octoxyphenyl)-4-phenyl-pyrimidin-5-yl]oxypropan-2-yl 2-heptoxypropanoate

Systemtic Name: 1-[2-(4-octoxyphenyl)-4-phenyl-pyrimidin-5-yl]oxypropan-2-yl 2-heptoxypropanoate Openeye Name: [1-methyl-2-[2-(4-octoxyphenyl)-4-phenyl-pyrimidin-5-yl]oxy-ethyl] 2-heptoxypropanoate CAS Name: 2-heptoxypropanoic acid 1-[[2-(4-octoxyphenyl)-4-phenyl-5-pyrimidinyl]oxy]propan-2-yl ester IUPAC Name: 1-[2-(4-octoxyphenyl)-4-phenylpyrimidin-5-yl]oxypropan-2-yl 2-heptoxypropanoate Traditional Name: 2-heptoxypropionic acid [1-methyl-2-[2-(4-octoxyphenyl)-4-phenyl-pyrimidin-5-yl]oxy-ethyl] ester Formula: C37H52N2O5 MolecularWeight: 604.81918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C(=N2)C3=CC=CC=C3)OCC(C)OC(=O)C(C)OCCCCCCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C(=N2)C3=CC=CC=C3)OCC(C)OC(=O)C(C)OCCCCCCC

InChI

InChI=1S/C37H52N2O5/c1-5-7-9-11-13-18-26-42-33-23-21-32(22-24-33)36-38-27-34(35(39-36)31-19-15-14-16-20-31)43-28-29(3)44-37(40)30(4)41-25-17-12-10-8-6-2/h14-16,19-24,27,29-30H,5-13,17-18,25-26,28H2,1-4H3