(4-propylphenyl) 2-cyano-4-(5-pentylpyrimidin-2-yl)benzoate

Systemtic Name: (4-propylphenyl) 2-cyano-4-(5-pentylpyrimidin-2-yl)benzoate Openeye Name: (4-propylphenyl) 2-cyano-4-(5-pentylpyrimidin-2-yl)benzoate CAS Name: 2-cyano-4-(5-pentyl-2-pyrimidinyl)benzoic acid (4-propylphenyl) ester IUPAC Name: (4-propylphenyl) 2-cyano-4-(5-pentylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-amylpyrimidin-2-yl)-2-cyano-benzoic acid (4-propylphenyl) ester Formula: C26H27N3O2 MolecularWeight: 413.51148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)C(=O)OC3=CC=C(C=C3)CCC)C#N

Isomeric SMILES

CCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)C(=O)OC3=CC=C(C=C3)CCC)C#N

InChI

InChI=1S/C26H27N3O2/c1-3-5-6-8-20-17-28-25(29-18-20)21-11-14-24(22(15-21)16-27)26(30)31-23-12-9-19(7-4-2)10-13-23/h9-15,17-18H,3-8H2,1-2H3