(4-decoxyphenyl) 2,3-dicyano-4-(5-heptylpyrimidin-2-yl)benzoate

Systemtic Name: (4-decoxyphenyl) 2,3-dicyano-4-(5-heptylpyrimidin-2-yl)benzoate Openeye Name: (4-decoxyphenyl) 2,3-dicyano-4-(5-heptylpyrimidin-2-yl)benzoate CAS Name: 2,3-dicyano-4-(5-heptyl-2-pyrimidinyl)benzoic acid (4-decoxyphenyl) ester IUPAC Name: (4-decoxyphenyl) 2,3-dicyano-4-(5-heptylpyrimidin-2-yl)benzoate Traditional Name: 2,3-dicyano-4-(5-heptylpyrimidin-2-yl)benzoic acid (4-decoxyphenyl) ester Formula: C36H44N4O3 MolecularWeight: 580.75956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C=C2)C3=NC=C(C=N3)CCCCCCC)C#N)C#N

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C=C2)C3=NC=C(C=N3)CCCCCCC)C#N)C#N

InChI

InChI=1S/C36H44N4O3/c1-3-5-7-9-10-11-13-15-23-42-29-17-19-30(20-18-29)43-36(41)32-22-21-31(33(24-37)34(32)25-38)35-39-26-28(27-40-35)16-14-12-8-6-4-2/h17-22,26-27H,3-16,23H2,1-2H3