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

Systemtic Name: [4-(5-octylpyrimidin-2-yl)phenyl] 3-cyano-4-octyl-benzoate Openeye Name: [4-(5-octylpyrimidin-2-yl)phenyl] 3-cyano-4-octyl-benzoate CAS Name: 3-cyano-4-octylbenzoic acid [4-(5-octyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-octylpyrimidin-2-yl)phenyl] 3-cyano-4-octylbenzoate Traditional Name: 3-cyano-4-octyl-benzoic acid [4-(5-octylpyrimidin-2-yl)phenyl] ester Formula: C34H43N3O2 MolecularWeight: 525.72412

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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)CCCCCCCC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C34H43N3O2/c1-3-5-7-9-11-13-15-27-25-36-33(37-26-27)29-19-21-32(22-20-29)39-34(38)30-18-17-28(31(23-30)24-35)16-14-12-10-8-6-4-2/h17-23,25-26H,3-16H2,1-2H3