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

Systemtic Name: (4-decoxyphenyl) 2,3-dicyano-4-(5-nonylpyrimidin-2-yl)benzoate Openeye Name: (4-decoxyphenyl) 2,3-dicyano-4-(5-nonylpyrimidin-2-yl)benzoate CAS Name: 2,3-dicyano-4-(5-nonyl-2-pyrimidinyl)benzoic acid (4-decoxyphenyl) ester IUPAC Name: (4-decoxyphenyl) 2,3-dicyano-4-(5-nonylpyrimidin-2-yl)benzoate Traditional Name: 2,3-dicyano-4-(5-nonylpyrimidin-2-yl)benzoic acid (4-decoxyphenyl) ester Formula: C38H48N4O3 MolecularWeight: 608.81272

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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)CCCCCCCCC)C#N)C#N

Isomeric SMILES

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

InChI

InChI=1S/C38H48N4O3/c1-3-5-7-9-11-13-15-17-25-44-31-19-21-32(22-20-31)45-38(43)34-24-23-33(35(26-39)36(34)27-40)37-41-28-30(29-42-37)18-16-14-12-10-8-6-4-2/h19-24,28-29H,3-18,25H2,1-2H3