[4-(5-hexylpyrimidin-2-yl)phenyl] 3-cyano-2-methyl-hexanoate

Systemtic Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 3-cyano-2-methyl-hexanoate Openeye Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 3-cyano-2-methyl-hexanoate CAS Name: 3-cyano-2-methylhexanoic acid [4-(5-hexyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 3-cyano-2-methylhexanoate Traditional Name: 3-cyano-2-methyl-hexanoic acid [4-(5-hexylpyrimidin-2-yl)phenyl] ester Formula: C24H31N3O2 MolecularWeight: 393.52184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C)C(CCC)C#N

Isomeric SMILES

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C)C(CCC)C#N

InChI

InChI=1S/C24H31N3O2/c1-4-6-7-8-10-19-16-26-23(27-17-19)20-11-13-22(14-12-20)29-24(28)18(3)21(15-25)9-5-2/h11-14,16-18,21H,4-10H2,1-3H3