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

Systemtic Name: [4-(5-heptoxypyrimidin-2-yl)phenyl] 2-pentoxypropanoate Openeye Name: [4-(5-heptoxypyrimidin-2-yl)phenyl] 2-pentoxypropanoate CAS Name: 2-pentoxypropanoic acid [4-(5-heptoxy-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-heptoxypyrimidin-2-yl)phenyl] 2-pentoxypropanoate Traditional Name: 2-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)C(C)OCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C25H36N2O4/c1-4-6-8-9-11-17-30-23-18-26-24(27-19-23)21-12-14-22(15-13-21)31-25(28)20(3)29-16-10-7-5-2/h12-15,18-20H,4-11,16-17H2,1-3H3