1-[4-[5-(4-octoxyphenyl)pyrimidin-2-yl]phenoxy]propan-2-yl 2-heptoxypropanoate

Systemtic Name: 1-[4-[5-(4-octoxyphenyl)pyrimidin-2-yl]phenoxy]propan-2-yl 2-heptoxypropanoate Openeye Name: [1-methyl-2-[4-[5-(4-octoxyphenyl)pyrimidin-2-yl]phenoxy]ethyl] 2-heptoxypropanoate CAS Name: 2-heptoxypropanoic acid 1-[4-[5-(4-octoxyphenyl)-2-pyrimidinyl]phenoxy]propan-2-yl ester IUPAC Name: 1-[4-[5-(4-octoxyphenyl)pyrimidin-2-yl]phenoxy]propan-2-yl 2-heptoxypropanoate Traditional Name: 2-heptoxypropionic acid [1-methyl-2-[4-[5-(4-octoxyphenyl)pyrimidin-2-yl]phenoxy]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=C2)C3=CC=C(C=C3)OCC(C)OC(=O)C(C)OCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C37H52N2O5/c1-5-7-9-11-13-15-25-42-34-20-16-31(17-21-34)33-26-38-36(39-27-33)32-18-22-35(23-19-32)43-28-29(3)44-37(40)30(4)41-24-14-12-10-8-6-2/h16-23,26-27,29-30H,5-15,24-25,28H2,1-4H3