1-[4-[5-(4-dodecoxyphenyl)pyrimidin-2-yl]phenoxy]propan-2-yl butanoate

Systemtic Name: 1-[4-[5-(4-dodecoxyphenyl)pyrimidin-2-yl]phenoxy]propan-2-yl butanoate Openeye Name: [2-[4-[5-(4-dodecoxyphenyl)pyrimidin-2-yl]phenoxy]-1-methyl-ethyl] butanoate CAS Name: butanoic acid 1-[4-[5-(4-dodecoxyphenyl)-2-pyrimidinyl]phenoxy]propan-2-yl ester IUPAC Name: 1-[4-[5-(4-dodecoxyphenyl)pyrimidin-2-yl]phenoxy]propan-2-yl butanoate Traditional Name: butyric acid [2-[4-[5-(4-lauryloxyphenyl)pyrimidin-2-yl]phenoxy]-1-methyl-ethyl] ester Formula: C35H48N2O4 MolecularWeight: 560.76662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OCC(C)OC(=O)CCC

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OCC(C)OC(=O)CCC

InChI

InChI=1S/C35H48N2O4/c1-4-6-7-8-9-10-11-12-13-14-24-39-32-20-16-29(17-21-32)31-25-36-35(37-26-31)30-18-22-33(23-19-30)40-27-28(3)41-34(38)15-5-2/h16-23,25-26,28H,4-15,24,27H2,1-3H3