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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=C(C(=C(C=C2)C(=O)OC3=CC=C(C=C3)OCCC)C#N)C#N

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=C(C(=C(C=C2)C(=O)OC3=CC=C(C=C3)OCCC)C#N)C#N

InChI

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