1-[4-[4-(5-heptoxypyrimidin-2-yl)phenyl]phenoxy]propan-2-yl heptanoate

Systemtic Name: 1-[4-[4-(5-heptoxypyrimidin-2-yl)phenyl]phenoxy]propan-2-yl heptanoate Openeye Name: [2-[4-[4-(5-heptoxypyrimidin-2-yl)phenyl]phenoxy]-1-methyl-ethyl] heptanoate CAS Name: heptanoic acid 1-[4-[4-(5-heptoxy-2-pyrimidinyl)phenyl]phenoxy]propan-2-yl ester IUPAC Name: 1-[4-[4-(5-heptoxypyrimidin-2-yl)phenyl]phenoxy]propan-2-yl heptanoate Traditional Name: enanthic acid [2-[4-[4-(5-heptoxypyrimidin-2-yl)phenyl]phenoxy]-1-methyl-ethyl] ester Formula: C33H44N2O4 MolecularWeight: 532.71346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)OCC(C)OC(=O)CCCCCC

Isomeric SMILES

CCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)OCC(C)OC(=O)CCCCCC

InChI

InChI=1S/C33H44N2O4/c1-4-6-8-10-12-22-37-31-23-34-33(35-24-31)29-16-14-27(15-17-29)28-18-20-30(21-19-28)38-25-26(3)39-32(36)13-11-9-7-5-2/h14-21,23-24,26H,4-13,22,25H2,1-3H3