5-[4-(5-octylpyrimidin-2-yl)phenoxy]pentan-2-yl pentanoate

Systemtic Name: 5-[4-(5-octylpyrimidin-2-yl)phenoxy]pentan-2-yl pentanoate Openeye Name: [1-methyl-4-[4-(5-octylpyrimidin-2-yl)phenoxy]butyl] pentanoate CAS Name: pentanoic acid 5-[4-(5-octyl-2-pyrimidinyl)phenoxy]pentan-2-yl ester IUPAC Name: 5-[4-(5-octylpyrimidin-2-yl)phenoxy]pentan-2-yl pentanoate Traditional Name: valeric acid [1-methyl-4-[4-(5-octylpyrimidin-2-yl)phenoxy]butyl] ester Formula: C28H42N2O3 MolecularWeight: 454.64468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCCCC(C)OC(=O)CCCC

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCCCC(C)OC(=O)CCCC

InChI

InChI=1S/C28H42N2O3/c1-4-6-8-9-10-11-14-24-21-29-28(30-22-24)25-16-18-26(19-17-25)32-20-12-13-23(3)33-27(31)15-7-5-2/h16-19,21-23H,4-15,20H2,1-3H3