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

Systemtic Name: 1-[5-(4-octoxyphenyl)-2-phenyl-pyrimidin-4-yl]oxypropan-2-yl 2-heptoxypropanoate Openeye Name: [1-methyl-2-[5-(4-octoxyphenyl)-2-phenyl-pyrimidin-4-yl]oxy-ethyl] 2-heptoxypropanoate CAS Name: 2-heptoxypropanoic acid 1-[[5-(4-octoxyphenyl)-2-phenyl-4-pyrimidinyl]oxy]propan-2-yl ester IUPAC Name: 1-[5-(4-octoxyphenyl)-2-phenylpyrimidin-4-yl]oxypropan-2-yl 2-heptoxypropanoate Traditional Name: 2-heptoxypropionic acid [1-methyl-2-[5-(4-octoxyphenyl)-2-phenyl-pyrimidin-4-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=CN=C(N=C2OCC(C)OC(=O)C(C)OCCCCCCC)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2OCC(C)OC(=O)C(C)OCCCCCCC)C3=CC=CC=C3

InChI

InChI=1S/C37H52N2O5/c1-5-7-9-11-13-18-26-42-33-23-21-31(22-24-33)34-27-38-35(32-19-15-14-16-20-32)39-36(34)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