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

Systemtic Name: (4-nonoxyphenyl) 2,3-dicyano-4-(5-heptylpyrimidin-2-yl)benzoate Openeye Name: (4-nonoxyphenyl) 2,3-dicyano-4-(5-heptylpyrimidin-2-yl)benzoate CAS Name: 2,3-dicyano-4-(5-heptyl-2-pyrimidinyl)benzoic acid (4-nonoxyphenyl) ester IUPAC Name: (4-nonoxyphenyl) 2,3-dicyano-4-(5-heptylpyrimidin-2-yl)benzoate Traditional Name: 2,3-dicyano-4-(5-heptylpyrimidin-2-yl)benzoic acid (4-nonoxyphenyl) ester Formula: C35H42N4O3 MolecularWeight: 566.73298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C=C2)C3=NC=C(C=N3)CCCCCCC)C#N)C#N

Isomeric SMILES

CCCCCCCCCOC1=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/C35H42N4O3/c1-3-5-7-9-10-12-14-22-41-28-16-18-29(19-17-28)42-35(40)31-21-20-30(32(23-36)33(31)24-37)34-38-25-27(26-39-34)15-13-11-8-6-4-2/h16-21,25-26H,3-15,22H2,1-2H3