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

Systemtic Name: (4-hexoxyphenyl) 2,3-dicyano-4-(5-octylpyrimidin-2-yl)benzoate Openeye Name: (4-hexoxyphenyl) 2,3-dicyano-4-(5-octylpyrimidin-2-yl)benzoate CAS Name: 2,3-dicyano-4-(5-octyl-2-pyrimidinyl)benzoic acid (4-hexoxyphenyl) ester IUPAC Name: (4-hexoxyphenyl) 2,3-dicyano-4-(5-octylpyrimidin-2-yl)benzoate Traditional Name: 2,3-dicyano-4-(5-octylpyrimidin-2-yl)benzoic acid (4-hexoxyphenyl) ester Formula: C33H38N4O3 MolecularWeight: 538.67982

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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)OCCCCCC)C#N)C#N

Isomeric SMILES

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

InChI

InChI=1S/C33H38N4O3/c1-3-5-7-9-10-11-13-25-23-36-32(37-24-25)28-18-19-29(31(22-35)30(28)21-34)33(38)40-27-16-14-26(15-17-27)39-20-12-8-6-4-2/h14-19,23-24H,3-13,20H2,1-2H3