[4-(5-propylpyrimidin-2-yl)phenyl] 3-cyano-4-octyl-benzoate

Systemtic Name: [4-(5-propylpyrimidin-2-yl)phenyl] 3-cyano-4-octyl-benzoate Openeye Name: [4-(5-propylpyrimidin-2-yl)phenyl] 3-cyano-4-octyl-benzoate CAS Name: 3-cyano-4-octylbenzoic acid [4-(5-propyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-propylpyrimidin-2-yl)phenyl] 3-cyano-4-octylbenzoate Traditional Name: 3-cyano-4-octyl-benzoic acid [4-(5-propylpyrimidin-2-yl)phenyl] ester Formula: C29H33N3O2 MolecularWeight: 455.59122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCC)C#N

Isomeric SMILES

CCCCCCCCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCC)C#N

InChI

InChI=1S/C29H33N3O2/c1-3-5-6-7-8-9-11-23-12-13-25(18-26(23)19-30)29(33)34-27-16-14-24(15-17-27)28-31-20-22(10-4-2)21-32-28/h12-18,20-21H,3-11H2,1-2H3