(4-pentoxyphenyl) 2,3-dicyano-4-(5-octylpyrimidin-2-yl)benzoate

Systemtic Name: (4-pentoxyphenyl) 2,3-dicyano-4-(5-octylpyrimidin-2-yl)benzoate Openeye Name: (4-pentoxyphenyl) 2,3-dicyano-4-(5-octylpyrimidin-2-yl)benzoate CAS Name: 2,3-dicyano-4-(5-octyl-2-pyrimidinyl)benzoic acid (4-pentoxyphenyl) ester IUPAC Name: (4-pentoxyphenyl) 2,3-dicyano-4-(5-octylpyrimidin-2-yl)benzoate Traditional Name: 2,3-dicyano-4-(5-octylpyrimidin-2-yl)benzoic acid (4-amoxyphenyl) ester Formula: C32H36N4O3 MolecularWeight: 524.65324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=C(C(=C(C=C2)C(=O)OC3=CC=C(C=C3)OCCCCC)C#N)C#N

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=C(C(=C(C=C2)C(=O)OC3=CC=C(C=C3)OCCCCC)C#N)C#N

InChI

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