(4-pentylphenyl) 2-cyano-4-(5-propylpyrimidin-2-yl)benzoate

Systemtic Name: (4-pentylphenyl) 2-cyano-4-(5-propylpyrimidin-2-yl)benzoate Openeye Name: (4-pentylphenyl) 2-cyano-4-(5-propylpyrimidin-2-yl)benzoate CAS Name: 2-cyano-4-(5-propyl-2-pyrimidinyl)benzoic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 2-cyano-4-(5-propylpyrimidin-2-yl)benzoate Traditional Name: 2-cyano-4-(5-propylpyrimidin-2-yl)benzoic acid (4-amylphenyl) ester Formula: C26H27N3O2 MolecularWeight: 413.51148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)C3=NC=C(C=N3)CCC)C#N

Isomeric SMILES

CCCCCC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)C3=NC=C(C=N3)CCC)C#N

InChI

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