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

Systemtic Name: [4-(5-heptoxypyrimidin-2-yl)phenyl] 3-heptoxypropanoate Openeye Name: [4-(5-heptoxypyrimidin-2-yl)phenyl] 3-heptoxypropanoate CAS Name: 3-heptoxypropanoic acid [4-(5-heptoxy-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-heptoxypyrimidin-2-yl)phenyl] 3-heptoxypropanoate Traditional Name: 3-heptoxypropionic acid [4-(5-heptoxypyrimidin-2-yl)phenyl] ester Formula: C27H40N2O4 MolecularWeight: 456.6175

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40N2O4/c1-3-5-7-9-11-18-31-20-17-26(30)33-24-15-13-23(14-16-24)27-28-21-25(22-29-27)32-19-12-10-8-6-4-2/h13-16,21-22H,3-12,17-20H2,1-2H3