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

Systemtic Name: [4-(5-octoxypyrimidin-2-yl)phenyl] 3-butoxypropanoate Openeye Name: [4-(5-octoxypyrimidin-2-yl)phenyl] 3-butoxypropanoate CAS Name: 3-butoxypropanoic acid [4-(5-octoxy-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-octoxypyrimidin-2-yl)phenyl] 3-butoxypropanoate Traditional Name: 3-butoxypropionic acid [4-(5-octoxypyrimidin-2-yl)phenyl] ester Formula: C25H36N2O4 MolecularWeight: 428.56434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCOCCCC

Isomeric SMILES

CCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCOCCCC

InChI

InChI=1S/C25H36N2O4/c1-3-5-7-8-9-10-17-30-23-19-26-25(27-20-23)21-11-13-22(14-12-21)31-24(28)15-18-29-16-6-4-2/h11-14,19-20H,3-10,15-18H2,1-2H3