[4-(5-octylpyrimidin-2-yl)phenyl] 3-octoxypropanoate

Systemtic Name: [4-(5-octylpyrimidin-2-yl)phenyl] 3-octoxypropanoate Openeye Name: [4-(5-octylpyrimidin-2-yl)phenyl] 3-octoxypropanoate CAS Name: 3-octoxypropanoic acid [4-(5-octyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-octylpyrimidin-2-yl)phenyl] 3-octoxypropanoate Traditional Name: 3-octoxypropionic acid [4-(5-octylpyrimidin-2-yl)phenyl] ester Formula: C29H44N2O3 MolecularWeight: 468.67126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H44N2O3/c1-3-5-7-9-11-13-15-25-23-30-29(31-24-25)26-16-18-27(19-17-26)34-28(32)20-22-33-21-14-12-10-8-6-4-2/h16-19,23-24H,3-15,20-22H2,1-2H3