[4-(5-pentoxypyrimidin-2-yl)phenyl] 3-heptoxypropanoate

Systemtic Name: [4-(5-pentoxypyrimidin-2-yl)phenyl] 3-heptoxypropanoate Openeye Name: [4-(5-pentoxypyrimidin-2-yl)phenyl] 3-heptoxypropanoate CAS Name: 3-heptoxypropanoic acid [4-(5-pentoxy-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-pentoxypyrimidin-2-yl)phenyl] 3-heptoxypropanoate Traditional Name: 3-heptoxypropionic acid [4-(5-amoxypyrimidin-2-yl)phenyl] ester Formula: C25H36N2O4 MolecularWeight: 428.56434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOCCC(=O)OC1=CC=C(C=C1)C2=NC=C(C=N2)OCCCCC

Isomeric SMILES

CCCCCCCOCCC(=O)OC1=CC=C(C=C1)C2=NC=C(C=N2)OCCCCC

InChI

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