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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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