[4-(5-heptylpyrimidin-2-yl)phenyl] 3-butoxypropanoate

Systemtic Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 3-butoxypropanoate Openeye Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 3-butoxypropanoate CAS Name: 3-butoxypropanoic acid [4-(5-heptyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 3-butoxypropanoate Traditional Name: 3-butoxypropionic acid [4-(5-heptylpyrimidin-2-yl)phenyl] ester Formula: C24H34N2O3 MolecularWeight: 398.53836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H34N2O3/c1-3-5-7-8-9-10-20-18-25-24(26-19-20)21-11-13-22(14-12-21)29-23(27)15-17-28-16-6-4-2/h11-14,18-19H,3-10,15-17H2,1-2H3