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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40N2O4/c1-4-6-8-10-12-18-31-22(3)27(30)33-24-16-14-23(15-17-24)26-28-20-25(21-29-26)32-19-13-11-9-7-5-2/h14-17,20-22H,4-13,18-19H2,1-3H3