[4-(5-heptylpyrimidin-2-yl)phenyl] 3-heptoxy-2-methyl-propanoate

Systemtic Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 3-heptoxy-2-methyl-propanoate Openeye Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 3-heptoxy-2-methyl-propanoate CAS Name: 3-heptoxy-2-methylpropanoic acid [4-(5-heptyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 3-heptoxy-2-methylpropanoate Traditional Name: 3-heptoxy-2-methyl-propionic acid [4-(5-heptylpyrimidin-2-yl)phenyl] ester Formula: C28H42N2O3 MolecularWeight: 454.64468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C)COCCCCCCC

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C)COCCCCCCC

InChI

InChI=1S/C28H42N2O3/c1-4-6-8-10-12-14-24-20-29-27(30-21-24)25-15-17-26(18-16-25)33-28(31)23(3)22-32-19-13-11-9-7-5-2/h15-18,20-21,23H,4-14,19,22H2,1-3H3