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

Systemtic Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 3-cyano-4-methyl-heptanoate Openeye Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 3-cyano-4-methyl-heptanoate CAS Name: 3-cyano-4-methylheptanoic acid [4-(5-heptyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 3-cyano-4-methylheptanoate Traditional Name: 3-cyano-4-methyl-enanthic acid [4-(5-heptylpyrimidin-2-yl)phenyl] ester Formula: C26H35N3O2 MolecularWeight: 421.575

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35N3O2/c1-4-6-7-8-9-11-21-18-28-26(29-19-21)22-12-14-24(15-13-22)31-25(30)16-23(17-27)20(3)10-5-2/h12-15,18-20,23H,4-11,16H2,1-3H3