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

Systemtic Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 2-cyano-2-methyl-hexanoate Openeye Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 2-cyano-2-methyl-hexanoate CAS Name: 2-cyano-2-methylhexanoic acid [4-(5-nonyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 2-cyano-2-methylhexanoate Traditional Name: 2-cyano-2-methyl-hexanoic acid [4-(5-nonylpyrimidin-2-yl)phenyl] ester Formula: C27H37N3O2 MolecularWeight: 435.60158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C)(CCCC)C#N

Isomeric SMILES

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C)(CCCC)C#N

InChI

InChI=1S/C27H37N3O2/c1-4-6-8-9-10-11-12-13-22-19-29-25(30-20-22)23-14-16-24(17-15-23)32-26(31)27(3,21-28)18-7-5-2/h14-17,19-20H,4-13,18H2,1-3H3