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

Systemtic Name: (4-propylphenyl) 2-cyano-4-(5-hexylpyrimidin-2-yl)benzoate Openeye Name: (4-propylphenyl) 2-cyano-4-(5-hexylpyrimidin-2-yl)benzoate CAS Name: 2-cyano-4-(5-hexyl-2-pyrimidinyl)benzoic acid (4-propylphenyl) ester IUPAC Name: (4-propylphenyl) 2-cyano-4-(5-hexylpyrimidin-2-yl)benzoate Traditional Name: 2-cyano-4-(5-hexylpyrimidin-2-yl)benzoic acid (4-propylphenyl) ester Formula: C27H29N3O2 MolecularWeight: 427.53806

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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)CCC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O2/c1-3-5-6-7-9-21-18-29-26(30-19-21)22-12-15-25(23(16-22)17-28)27(31)32-24-13-10-20(8-4-2)11-14-24/h10-16,18-19H,3-9H2,1-2H3