(4-decoxyphenyl) 2,3-dicyano-4-(5-octylpyrimidin-2-yl)benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C=C2)C3=NC=C(C=N3)CCCCCCCC)C#N)C#N

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C=C2)C3=NC=C(C=N3)CCCCCCCC)C#N)C#N

InChI

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