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

Systemtic Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 3-cyano-2-methyl-hexanoate Openeye Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 3-cyano-2-methyl-hexanoate CAS Name: 3-cyano-2-methylhexanoic acid [4-(5-pentyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 3-cyano-2-methylhexanoate Traditional Name: 3-cyano-2-methyl-hexanoic acid [4-(5-amylpyrimidin-2-yl)phenyl] ester Formula: C23H29N3O2 MolecularWeight: 379.49526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O2/c1-4-6-7-9-18-15-25-22(26-16-18)19-10-12-21(13-11-19)28-23(27)17(3)20(14-24)8-5-2/h10-13,15-17,20H,4-9H2,1-3H3