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

Systemtic Name: (4-hexylphenyl) 2-cyano-4-(5-hexylpyrimidin-2-yl)benzoate Openeye Name: (4-hexylphenyl) 2-cyano-4-(5-hexylpyrimidin-2-yl)benzoate CAS Name: 2-cyano-4-(5-hexyl-2-pyrimidinyl)benzoic acid (4-hexylphenyl) ester IUPAC Name: (4-hexylphenyl) 2-cyano-4-(5-hexylpyrimidin-2-yl)benzoate Traditional Name: 2-cyano-4-(5-hexylpyrimidin-2-yl)benzoic acid (4-hexylphenyl) ester Formula: C30H35N3O2 MolecularWeight: 469.6178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)C3=NC=C(C=N3)CCCCCC)C#N

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)C3=NC=C(C=N3)CCCCCC)C#N

InChI

InChI=1S/C30H35N3O2/c1-3-5-7-9-11-23-13-16-27(17-14-23)35-30(34)28-18-15-25(19-26(28)20-31)29-32-21-24(22-33-29)12-10-8-6-4-2/h13-19,21-22H,3-12H2,1-2H3