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

Systemtic Name: (4-pentylphenyl) 2-cyano-4-(5-hexylpyrimidin-2-yl)benzoate Openeye Name: (4-pentylphenyl) 2-cyano-4-(5-hexylpyrimidin-2-yl)benzoate CAS Name: 2-cyano-4-(5-hexyl-2-pyrimidinyl)benzoic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 2-cyano-4-(5-hexylpyrimidin-2-yl)benzoate Traditional Name: 2-cyano-4-(5-hexylpyrimidin-2-yl)benzoic acid (4-amylphenyl) ester Formula: C29H33N3O2 MolecularWeight: 455.59122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCC)C#N

Isomeric SMILES

CCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCC)C#N

InChI

InChI=1S/C29H33N3O2/c1-3-5-7-9-11-23-20-31-28(32-21-23)24-14-17-27(25(18-24)19-30)29(33)34-26-15-12-22(13-16-26)10-8-6-4-2/h12-18,20-21H,3-11H2,1-2H3