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

Systemtic Name: (4-hexoxyphenyl) 2,3-dicyano-4-(5-pentylpyrimidin-2-yl)benzoate Openeye Name: (4-hexoxyphenyl) 2,3-dicyano-4-(5-pentylpyrimidin-2-yl)benzoate CAS Name: 2,3-dicyano-4-(5-pentyl-2-pyrimidinyl)benzoic acid (4-hexoxyphenyl) ester IUPAC Name: (4-hexoxyphenyl) 2,3-dicyano-4-(5-pentylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-amylpyrimidin-2-yl)-2,3-dicyano-benzoic acid (4-hexoxyphenyl) ester Formula: C30H32N4O3 MolecularWeight: 496.60008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C=C2)C3=NC=C(C=N3)CCCCC)C#N)C#N

Isomeric SMILES

CCCCCCOC1=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/C30H32N4O3/c1-3-5-7-9-17-36-23-11-13-24(14-12-23)37-30(35)26-16-15-25(27(18-31)28(26)19-32)29-33-20-22(21-34-29)10-8-6-4-2/h11-16,20-21H,3-10,17H2,1-2H3