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

Systemtic Name: [4-(5-heptoxypyrimidin-2-yl)phenyl] 3-pentoxypropanoate Openeye Name: [4-(5-heptoxypyrimidin-2-yl)phenyl] 3-pentoxypropanoate CAS Name: 3-pentoxypropanoic acid [4-(5-heptoxy-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-heptoxypyrimidin-2-yl)phenyl] 3-pentoxypropanoate Traditional Name: 3-amoxypropionic acid [4-(5-heptoxypyrimidin-2-yl)phenyl] ester Formula: C25H36N2O4 MolecularWeight: 428.56434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCOCCCCC

Isomeric SMILES

CCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCOCCCCC

InChI

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