1-[5-(4-octoxyphenyl)-2-phenyl-pyrimidin-4-yl]oxypropan-2-yl 3-methylheptanoate

Systemtic Name: 1-[5-(4-octoxyphenyl)-2-phenyl-pyrimidin-4-yl]oxypropan-2-yl 3-methylheptanoate Openeye Name: [1-methyl-2-[5-(4-octoxyphenyl)-2-phenyl-pyrimidin-4-yl]oxy-ethyl] 3-methylheptanoate CAS Name: 3-methylheptanoic acid 1-[[5-(4-octoxyphenyl)-2-phenyl-4-pyrimidinyl]oxy]propan-2-yl ester IUPAC Name: 1-[5-(4-octoxyphenyl)-2-phenylpyrimidin-4-yl]oxypropan-2-yl 3-methylheptanoate Traditional Name: 3-methylenanthic acid [1-methyl-2-[5-(4-octoxyphenyl)-2-phenyl-pyrimidin-4-yl]oxy-ethyl] ester Formula: C35H48N2O4 MolecularWeight: 560.76662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2OCC(C)OC(=O)CC(C)CCCC)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2OCC(C)OC(=O)CC(C)CCCC)C3=CC=CC=C3

InChI

InChI=1S/C35H48N2O4/c1-5-7-9-10-11-15-23-39-31-21-19-29(20-22-31)32-25-36-34(30-17-13-12-14-18-30)37-35(32)40-26-28(4)41-33(38)24-27(3)16-8-6-2/h12-14,17-22,25,27-28H,5-11,15-16,23-24,26H2,1-4H3