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

Systemtic Name: [4-(5-octylpyrimidin-2-yl)phenyl] 2-octoxypropanoate Openeye Name: [4-(5-octylpyrimidin-2-yl)phenyl] 2-octoxypropanoate CAS Name: 2-octoxypropanoic acid [4-(5-octyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-octylpyrimidin-2-yl)phenyl] 2-octoxypropanoate Traditional Name: 2-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)C(C)OCCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C29H44N2O3/c1-4-6-8-10-12-14-16-25-22-30-28(31-23-25)26-17-19-27(20-18-26)34-29(32)24(3)33-21-15-13-11-9-7-5-2/h17-20,22-24H,4-16,21H2,1-3H3