(4-octylphenyl) 2-cyano-4-(5-octylpyrimidin-2-yl)benzoate

Systemtic Name: (4-octylphenyl) 2-cyano-4-(5-octylpyrimidin-2-yl)benzoate Openeye Name: (4-octylphenyl) 2-cyano-4-(5-octylpyrimidin-2-yl)benzoate CAS Name: 2-cyano-4-(5-octyl-2-pyrimidinyl)benzoic acid (4-octylphenyl) ester IUPAC Name: (4-octylphenyl) 2-cyano-4-(5-octylpyrimidin-2-yl)benzoate Traditional Name: 2-cyano-4-(5-octylpyrimidin-2-yl)benzoic acid (4-octylphenyl) ester Formula: C34H43N3O2 MolecularWeight: 525.72412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)C3=NC=C(C=N3)CCCCCCCC)C#N

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)C3=NC=C(C=N3)CCCCCCCC)C#N

InChI

InChI=1S/C34H43N3O2/c1-3-5-7-9-11-13-15-27-17-20-31(21-18-27)39-34(38)32-22-19-29(23-30(32)24-35)33-36-25-28(26-37-33)16-14-12-10-8-6-4-2/h17-23,25-26H,3-16H2,1-2H3