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

Systemtic Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 3-cyano-4-methyl-heptanoate Openeye Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 3-cyano-4-methyl-heptanoate CAS Name: 3-cyano-4-methylheptanoic acid [4-(5-pentyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 3-cyano-4-methylheptanoate Traditional Name: 3-cyano-4-methyl-enanthic acid [4-(5-amylpyrimidin-2-yl)phenyl] ester Formula: C24H31N3O2 MolecularWeight: 393.52184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CC(C#N)C(C)CCC

Isomeric SMILES

CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CC(C#N)C(C)CCC

InChI

InChI=1S/C24H31N3O2/c1-4-6-7-9-19-16-26-24(27-17-19)20-10-12-22(13-11-20)29-23(28)14-21(15-25)18(3)8-5-2/h10-13,16-18,21H,4-9,14H2,1-3H3