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

Systemtic Name: (4-octylphenyl) 2-cyano-4-(5-pentylpyrimidin-2-yl)benzoate Openeye Name: (4-octylphenyl) 2-cyano-4-(5-pentylpyrimidin-2-yl)benzoate CAS Name: 2-cyano-4-(5-pentyl-2-pyrimidinyl)benzoic acid (4-octylphenyl) ester IUPAC Name: (4-octylphenyl) 2-cyano-4-(5-pentylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-amylpyrimidin-2-yl)-2-cyano-benzoic acid (4-octylphenyl) ester Formula: C31H37N3O2 MolecularWeight: 483.64438

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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)CCCCC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C31H37N3O2/c1-3-5-7-8-9-11-12-24-14-17-28(18-15-24)36-31(35)29-19-16-26(20-27(29)21-32)30-33-22-25(23-34-30)13-10-6-4-2/h14-20,22-23H,3-13H2,1-2H3