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

Systemtic Name: (4-decoxyphenyl) 2,3-dicyano-4-(5-decylpyrimidin-2-yl)benzoate Openeye Name: (4-decoxyphenyl) 2,3-dicyano-4-(5-decylpyrimidin-2-yl)benzoate CAS Name: 2,3-dicyano-4-(5-decyl-2-pyrimidinyl)benzoic acid (4-decoxyphenyl) ester IUPAC Name: (4-decoxyphenyl) 2,3-dicyano-4-(5-decylpyrimidin-2-yl)benzoate Traditional Name: 2,3-dicyano-4-(5-decylpyrimidin-2-yl)benzoic acid (4-decoxyphenyl) ester Formula: C39H50N4O3 MolecularWeight: 622.8393

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H50N4O3/c1-3-5-7-9-11-13-15-17-19-31-29-42-38(43-30-31)34-24-25-35(37(28-41)36(34)27-40)39(44)46-33-22-20-32(21-23-33)45-26-18-16-14-12-10-8-6-4-2/h20-25,29-30H,3-19,26H2,1-2H3