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

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

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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)OCCCCCCC)C#N)C#N

Isomeric SMILES

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

InChI

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