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

Systemtic Name: (4-nonoxyphenyl) 2,3-dicyano-4-(5-nonylpyrimidin-2-yl)benzoate Openeye Name: (4-nonoxyphenyl) 2,3-dicyano-4-(5-nonylpyrimidin-2-yl)benzoate CAS Name: 2,3-dicyano-4-(5-nonyl-2-pyrimidinyl)benzoic acid (4-nonoxyphenyl) ester IUPAC Name: (4-nonoxyphenyl) 2,3-dicyano-4-(5-nonylpyrimidin-2-yl)benzoate Traditional Name: 2,3-dicyano-4-(5-nonylpyrimidin-2-yl)benzoic acid (4-nonoxyphenyl) ester Formula: C37H46N4O3 MolecularWeight: 594.78614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(N=C1)C2=C(C(=C(C=C2)C(=O)OC3=CC=C(C=C3)OCCCCCCCCC)C#N)C#N

Isomeric SMILES

CCCCCCCCCC1=CN=C(N=C1)C2=C(C(=C(C=C2)C(=O)OC3=CC=C(C=C3)OCCCCCCCCC)C#N)C#N

InChI

InChI=1S/C37H46N4O3/c1-3-5-7-9-11-13-15-17-29-27-40-36(41-28-29)32-22-23-33(35(26-39)34(32)25-38)37(42)44-31-20-18-30(19-21-31)43-24-16-14-12-10-8-6-4-2/h18-23,27-28H,3-17,24H2,1-2H3