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

Systemtic Name: (4-hexoxyphenyl) 2,3-dicyano-4-(5-propylpyrimidin-2-yl)benzoate Openeye Name: (4-hexoxyphenyl) 2,3-dicyano-4-(5-propylpyrimidin-2-yl)benzoate CAS Name: 2,3-dicyano-4-(5-propyl-2-pyrimidinyl)benzoic acid (4-hexoxyphenyl) ester IUPAC Name: (4-hexoxyphenyl) 2,3-dicyano-4-(5-propylpyrimidin-2-yl)benzoate Traditional Name: 2,3-dicyano-4-(5-propylpyrimidin-2-yl)benzoic acid (4-hexoxyphenyl) ester Formula: C28H28N4O3 MolecularWeight: 468.54692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C=C2)C3=NC=C(C=N3)CCC)C#N)C#N

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C=C2)C3=NC=C(C=N3)CCC)C#N)C#N

InChI

InChI=1S/C28H28N4O3/c1-3-5-6-7-15-34-21-9-11-22(12-10-21)35-28(33)24-14-13-23(25(16-29)26(24)17-30)27-31-18-20(8-4-2)19-32-27/h9-14,18-19H,3-8,15H2,1-2H3