7-[2-(4-octoxyphenyl)pyrimidin-5-yl]oxyheptan-2-yl butanoate

Systemtic Name: 7-[2-(4-octoxyphenyl)pyrimidin-5-yl]oxyheptan-2-yl butanoate Openeye Name: [1-methyl-6-[2-(4-octoxyphenyl)pyrimidin-5-yl]oxy-hexyl] butanoate CAS Name: butanoic acid 7-[[2-(4-octoxyphenyl)-5-pyrimidinyl]oxy]heptan-2-yl ester IUPAC Name: 7-[2-(4-octoxyphenyl)pyrimidin-5-yl]oxyheptan-2-yl butanoate Traditional Name: butyric acid [1-methyl-6-[2-(4-octoxyphenyl)pyrimidin-5-yl]oxy-hexyl] ester Formula: C29H44N2O4 MolecularWeight: 484.67066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OCCCCCC(C)OC(=O)CCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OCCCCCC(C)OC(=O)CCC

InChI

InChI=1S/C29H44N2O4/c1-4-6-7-8-9-12-20-33-26-18-16-25(17-19-26)29-30-22-27(23-31-29)34-21-13-10-11-15-24(3)35-28(32)14-5-2/h16-19,22-24H,4-15,20-21H2,1-3H3