(4-decylphenyl) 2-cyano-4-(5-decylpyrimidin-2-yl)benzoate

Systemtic Name: (4-decylphenyl) 2-cyano-4-(5-decylpyrimidin-2-yl)benzoate Openeye Name: (4-decylphenyl) 2-cyano-4-(5-decylpyrimidin-2-yl)benzoate CAS Name: 2-cyano-4-(5-decyl-2-pyrimidinyl)benzoic acid (4-decylphenyl) ester IUPAC Name: (4-decylphenyl) 2-cyano-4-(5-decylpyrimidin-2-yl)benzoate Traditional Name: 2-cyano-4-(5-decylpyrimidin-2-yl)benzoic acid (4-decylphenyl) ester Formula: C38H51N3O2 MolecularWeight: 581.83044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)C3=NC=C(C=N3)CCCCCCCCCC)C#N

Isomeric SMILES

CCCCCCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)C3=NC=C(C=N3)CCCCCCCCCC)C#N

InChI

InChI=1S/C38H51N3O2/c1-3-5-7-9-11-13-15-17-19-31-21-24-35(25-22-31)43-38(42)36-26-23-33(27-34(36)28-39)37-40-29-32(30-41-37)20-18-16-14-12-10-8-6-4-2/h21-27,29-30H,3-20H2,1-2H3