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

Systemtic Name: (4-decoxyphenyl) 2,3-dicyano-4-(5-pentylpyrimidin-2-yl)benzoate Openeye Name: (4-decoxyphenyl) 2,3-dicyano-4-(5-pentylpyrimidin-2-yl)benzoate CAS Name: 2,3-dicyano-4-(5-pentyl-2-pyrimidinyl)benzoic acid (4-decoxyphenyl) ester IUPAC Name: (4-decoxyphenyl) 2,3-dicyano-4-(5-pentylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-amylpyrimidin-2-yl)-2,3-dicyano-benzoic acid (4-decoxyphenyl) ester Formula: C34H40N4O3 MolecularWeight: 552.7064

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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)CCCCC)C#N)C#N

Isomeric SMILES

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

InChI

InChI=1S/C34H40N4O3/c1-3-5-7-8-9-10-11-13-21-40-27-15-17-28(18-16-27)41-34(39)30-20-19-29(31(22-35)32(30)23-36)33-37-24-26(25-38-33)14-12-6-4-2/h15-20,24-25H,3-14,21H2,1-2H3