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

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

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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)OCCCCCCCCC)C#N)C#N

Isomeric SMILES

CCCCCCCCCCC1=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/C38H48N4O3/c1-3-5-7-9-11-12-14-16-18-30-28-41-37(42-29-30)33-23-24-34(36(27-40)35(33)26-39)38(43)45-32-21-19-31(20-22-32)44-25-17-15-13-10-8-6-4-2/h19-24,28-29H,3-18,25H2,1-2H3