1-[4-[5-(4-tridecylphenyl)pyrimidin-2-yl]phenoxy]propan-2-yl 2-pentoxypropanoate

Systemtic Name: 1-[4-[5-(4-tridecylphenyl)pyrimidin-2-yl]phenoxy]propan-2-yl 2-pentoxypropanoate Openeye Name: [1-methyl-2-[4-[5-(4-tridecylphenyl)pyrimidin-2-yl]phenoxy]ethyl] 2-pentoxypropanoate CAS Name: 2-pentoxypropanoic acid 1-[4-[5-(4-tridecylphenyl)-2-pyrimidinyl]phenoxy]propan-2-yl ester IUPAC Name: 1-[4-[5-(4-tridecylphenyl)pyrimidin-2-yl]phenoxy]propan-2-yl 2-pentoxypropanoate Traditional Name: 2-amoxypropionic acid [1-methyl-2-[4-[5-(4-tridecylphenyl)pyrimidin-2-yl]phenoxy]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=C2)C3=CC=C(C=C3)OCC(C)OC(=O)C(C)OCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C40H58N2O4/c1-5-7-9-10-11-12-13-14-15-16-17-19-34-20-22-35(23-21-34)37-29-41-39(42-30-37)36-24-26-38(27-25-36)45-31-32(3)46-40(43)33(4)44-28-18-8-6-2/h20-27,29-30,32-33H,5-19,28,31H2,1-4H3