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

Systemtic Name: 1-[4-[2-(4-dodecoxyphenyl)pyrimidin-4-yl]phenoxy]propan-2-yl butanoate Openeye Name: [2-[4-[2-(4-dodecoxyphenyl)pyrimidin-4-yl]phenoxy]-1-methyl-ethyl] butanoate CAS Name: butanoic acid 1-[4-[2-(4-dodecoxyphenyl)-4-pyrimidinyl]phenoxy]propan-2-yl ester IUPAC Name: 1-[4-[2-(4-dodecoxyphenyl)pyrimidin-4-yl]phenoxy]propan-2-yl butanoate Traditional Name: butyric acid [2-[4-[2-(4-lauryloxyphenyl)pyrimidin-4-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=NC=CC(=N2)C3=CC=C(C=C3)OCC(C)OC(=O)CCC

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)C2=NC=CC(=N2)C3=CC=C(C=C3)OCC(C)OC(=O)CCC

InChI

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