(4-propylphenyl) 2-cyano-4-(5-heptylpyrimidin-2-yl)benzoate

Systemtic Name: (4-propylphenyl) 2-cyano-4-(5-heptylpyrimidin-2-yl)benzoate Openeye Name: (4-propylphenyl) 2-cyano-4-(5-heptylpyrimidin-2-yl)benzoate CAS Name: 2-cyano-4-(5-heptyl-2-pyrimidinyl)benzoic acid (4-propylphenyl) ester IUPAC Name: (4-propylphenyl) 2-cyano-4-(5-heptylpyrimidin-2-yl)benzoate Traditional Name: 2-cyano-4-(5-heptylpyrimidin-2-yl)benzoic acid (4-propylphenyl) ester Formula: C28H31N3O2 MolecularWeight: 441.56464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)C(=O)OC3=CC=C(C=C3)CCC)C#N

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)C(=O)OC3=CC=C(C=C3)CCC)C#N

InChI

InChI=1S/C28H31N3O2/c1-3-5-6-7-8-10-22-19-30-27(31-20-22)23-13-16-26(24(17-23)18-29)28(32)33-25-14-11-21(9-4-2)12-15-25/h11-17,19-20H,3-10H2,1-2H3