[4-(5-nonylpyrimidin-2-yl)phenyl] 3-cyano-4-methyl-heptanoate

Systemtic Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 3-cyano-4-methyl-heptanoate Openeye Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 3-cyano-4-methyl-heptanoate CAS Name: 3-cyano-4-methylheptanoic acid [4-(5-nonyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 3-cyano-4-methylheptanoate Traditional Name: 3-cyano-4-methyl-enanthic acid [4-(5-nonylpyrimidin-2-yl)phenyl] ester Formula: C28H39N3O2 MolecularWeight: 449.62816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H39N3O2/c1-4-6-7-8-9-10-11-13-23-20-30-28(31-21-23)24-14-16-26(17-15-24)33-27(32)18-25(19-29)22(3)12-5-2/h14-17,20-22,25H,4-13,18H2,1-3H3