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

Systemtic Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 2-heptoxypropanoate Openeye Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 2-heptoxypropanoate CAS Name: 2-heptoxypropanoic acid [4-(5-heptyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 2-heptoxypropanoate Traditional Name: 2-heptoxypropionic acid [4-(5-heptylpyrimidin-2-yl)phenyl] ester Formula: C27H40N2O3 MolecularWeight: 440.6181

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C)OCCCCCCC

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C)OCCCCCCC

InChI

InChI=1S/C27H40N2O3/c1-4-6-8-10-12-14-23-20-28-26(29-21-23)24-15-17-25(18-16-24)32-27(30)22(3)31-19-13-11-9-7-5-2/h15-18,20-22H,4-14,19H2,1-3H3