(2,3-dicyano-4-decoxy-phenyl) 4-(5-hexylpyrimidin-2-yl)benzoate

Systemtic Name: (2,3-dicyano-4-decoxy-phenyl) 4-(5-hexylpyrimidin-2-yl)benzoate Openeye Name: (2,3-dicyano-4-decoxy-phenyl) 4-(5-hexylpyrimidin-2-yl)benzoate CAS Name: 4-(5-hexyl-2-pyrimidinyl)benzoic acid (2,3-dicyano-4-decoxyphenyl) ester IUPAC Name: (2,3-dicyano-4-decoxyphenyl) 4-(5-hexylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-hexylpyrimidin-2-yl)benzoic acid (2,3-dicyano-4-decoxy-phenyl) ester Formula: C35H42N4O3 MolecularWeight: 566.73298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H42N4O3/c1-3-5-7-9-10-11-12-14-22-41-32-20-21-33(31(24-37)30(32)23-36)42-35(40)29-18-16-28(17-19-29)34-38-25-27(26-39-34)15-13-8-6-4-2/h16-21,25-26H,3-15,22H2,1-2H3