(4-octoxyphenyl) 2,3-dicyano-4-(5-pentylpyrimidin-2-yl)benzoate

Systemtic Name: (4-octoxyphenyl) 2,3-dicyano-4-(5-pentylpyrimidin-2-yl)benzoate Openeye Name: (4-octoxyphenyl) 2,3-dicyano-4-(5-pentylpyrimidin-2-yl)benzoate CAS Name: 2,3-dicyano-4-(5-pentyl-2-pyrimidinyl)benzoic acid (4-octoxyphenyl) ester IUPAC Name: (4-octoxyphenyl) 2,3-dicyano-4-(5-pentylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-amylpyrimidin-2-yl)-2,3-dicyano-benzoic acid (4-octoxyphenyl) ester Formula: C32H36N4O3 MolecularWeight: 524.65324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C=C2)C3=NC=C(C=N3)CCCCC)C#N)C#N

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C=C2)C3=NC=C(C=N3)CCCCC)C#N)C#N

InChI

InChI=1S/C32H36N4O3/c1-3-5-7-8-9-11-19-38-25-13-15-26(16-14-25)39-32(37)28-18-17-27(29(20-33)30(28)21-34)31-35-22-24(23-36-31)12-10-6-4-2/h13-18,22-23H,3-12,19H2,1-2H3