[4-(5-heptylpyrimidin-2-yl)phenyl] 2-cyano-2-methyl-hexanoate

Systemtic Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 2-cyano-2-methyl-hexanoate Openeye Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 2-cyano-2-methyl-hexanoate CAS Name: 2-cyano-2-methylhexanoic acid [4-(5-heptyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 2-cyano-2-methylhexanoate Traditional Name: 2-cyano-2-methyl-hexanoic acid [4-(5-heptylpyrimidin-2-yl)phenyl] ester Formula: C25H33N3O2 MolecularWeight: 407.54842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O2/c1-4-6-8-9-10-11-20-17-27-23(28-18-20)21-12-14-22(15-13-21)30-24(29)25(3,19-26)16-7-5-2/h12-15,17-18H,4-11,16H2,1-3H3