(4-octoxyphenyl) 2,3-dicyano-4-(5-propylpyrimidin-2-yl)benzoate

Systemtic Name: (4-octoxyphenyl) 2,3-dicyano-4-(5-propylpyrimidin-2-yl)benzoate Openeye Name: (4-octoxyphenyl) 2,3-dicyano-4-(5-propylpyrimidin-2-yl)benzoate CAS Name: 2,3-dicyano-4-(5-propyl-2-pyrimidinyl)benzoic acid (4-octoxyphenyl) ester IUPAC Name: (4-octoxyphenyl) 2,3-dicyano-4-(5-propylpyrimidin-2-yl)benzoate Traditional Name: 2,3-dicyano-4-(5-propylpyrimidin-2-yl)benzoic acid (4-octoxyphenyl) ester Formula: C30H32N4O3 MolecularWeight: 496.60008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C=C2)C3=NC=C(C=N3)CCC)C#N)C#N

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C=C2)C3=NC=C(C=N3)CCC)C#N)C#N

InChI

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