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

Systemtic Name: [4-(5-octylpyrimidin-2-yl)phenyl] 2-heptoxypropanoate Openeye Name: [4-(5-octylpyrimidin-2-yl)phenyl] 2-heptoxypropanoate CAS Name: 2-heptoxypropanoic acid [4-(5-octyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-octylpyrimidin-2-yl)phenyl] 2-heptoxypropanoate Traditional Name: 2-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)C(C)OCCCCCCC

Isomeric SMILES

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

InChI

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