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

Systemtic Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 3-pentoxypropanoate Openeye Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 3-pentoxypropanoate CAS Name: 3-pentoxypropanoic acid [4-(5-heptyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 3-pentoxypropanoate Traditional Name: 3-amoxypropionic acid [4-(5-heptylpyrimidin-2-yl)phenyl] ester Formula: C25H36N2O3 MolecularWeight: 412.56494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N2O3/c1-3-5-7-8-9-11-21-19-26-25(27-20-21)22-12-14-23(15-13-22)30-24(28)16-18-29-17-10-6-4-2/h12-15,19-20H,3-11,16-18H2,1-2H3