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

Systemtic Name: (4-pentylphenyl) 2-cyano-4-(5-pentylpyrimidin-2-yl)benzoate Openeye Name: (4-pentylphenyl) 2-cyano-4-(5-pentylpyrimidin-2-yl)benzoate CAS Name: 2-cyano-4-(5-pentyl-2-pyrimidinyl)benzoic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 2-cyano-4-(5-pentylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-amylpyrimidin-2-yl)-2-cyano-benzoic acid (4-amylphenyl) ester Formula: C28H31N3O2 MolecularWeight: 441.56464

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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)CCCCC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C28H31N3O2/c1-3-5-7-9-21-11-14-25(15-12-21)33-28(32)26-16-13-23(17-24(26)18-29)27-30-19-22(20-31-27)10-8-6-4-2/h11-17,19-20H,3-10H2,1-2H3