(4-hexylphenyl) 2-cyano-4-(5-decylpyrimidin-2-yl)benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCCC)C#N

Isomeric SMILES

CCCCCCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCCC)C#N

InChI

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