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

Systemtic Name: [4-(5-octylpyrimidin-2-yl)phenyl] 3-heptoxypropanoate Openeye Name: [4-(5-octylpyrimidin-2-yl)phenyl] 3-heptoxypropanoate CAS Name: 3-heptoxypropanoic acid [4-(5-octyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-octylpyrimidin-2-yl)phenyl] 3-heptoxypropanoate Traditional Name: 3-heptoxypropionic acid [4-(5-octylpyrimidin-2-yl)phenyl] 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)OC(=O)CCOCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C28H42N2O3/c1-3-5-7-9-10-12-14-24-22-29-28(30-23-24)25-15-17-26(18-16-25)33-27(31)19-21-32-20-13-11-8-6-4-2/h15-18,22-23H,3-14,19-21H2,1-2H3