1-[2-phenyl-5-(4-tridecylphenyl)pyrimidin-4-yl]oxypropan-2-yl 2-pentoxypropanoate

Systemtic Name: 1-[2-phenyl-5-(4-tridecylphenyl)pyrimidin-4-yl]oxypropan-2-yl 2-pentoxypropanoate Openeye Name: [1-methyl-2-[2-phenyl-5-(4-tridecylphenyl)pyrimidin-4-yl]oxy-ethyl] 2-pentoxypropanoate CAS Name: 2-pentoxypropanoic acid 1-[[2-phenyl-5-(4-tridecylphenyl)-4-pyrimidinyl]oxy]propan-2-yl ester IUPAC Name: 1-[2-phenyl-5-(4-tridecylphenyl)pyrimidin-4-yl]oxypropan-2-yl 2-pentoxypropanoate Traditional Name: 2-amoxypropionic acid [1-methyl-2-[2-phenyl-5-(4-tridecylphenyl)pyrimidin-4-yl]oxy-ethyl] ester Formula: C40H58N2O4 MolecularWeight: 630.89952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2OCC(C)OC(=O)C(C)OCCCCC)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2OCC(C)OC(=O)C(C)OCCCCC)C3=CC=CC=C3

InChI

InChI=1S/C40H58N2O4/c1-5-7-9-10-11-12-13-14-15-16-18-22-34-25-27-35(28-26-34)37-30-41-38(36-23-19-17-20-24-36)42-39(37)45-31-32(3)46-40(43)33(4)44-29-21-8-6-2/h17,19-20,23-28,30,32-33H,5-16,18,21-22,29,31H2,1-4H3