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

Systemtic Name: [4-(5-decylpyrimidin-2-yl)phenyl] 2-cyano-2-methyl-hexanoate Openeye Name: [4-(5-decylpyrimidin-2-yl)phenyl] 2-cyano-2-methyl-hexanoate CAS Name: 2-cyano-2-methylhexanoic acid [4-(5-decyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-decylpyrimidin-2-yl)phenyl] 2-cyano-2-methylhexanoate Traditional Name: 2-cyano-2-methyl-hexanoic acid [4-(5-decylpyrimidin-2-yl)phenyl] ester Formula: C28H39N3O2 MolecularWeight: 449.62816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C)(CCCC)C#N

Isomeric SMILES

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C)(CCCC)C#N

InChI

InChI=1S/C28H39N3O2/c1-4-6-8-9-10-11-12-13-14-23-20-30-26(31-21-23)24-15-17-25(18-16-24)33-27(32)28(3,22-29)19-7-5-2/h15-18,20-21H,4-14,19H2,1-3H3