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

Systemtic Name: [4-(5-octylpyrimidin-2-yl)phenyl] 3-cyano-4-hexyl-benzoate Openeye Name: [4-(5-octylpyrimidin-2-yl)phenyl] 3-cyano-4-hexyl-benzoate CAS Name: 3-cyano-4-hexylbenzoic acid [4-(5-octyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-octylpyrimidin-2-yl)phenyl] 3-cyano-4-hexylbenzoate Traditional Name: 3-cyano-4-hexyl-benzoic acid [4-(5-octylpyrimidin-2-yl)phenyl] ester Formula: C32H39N3O2 MolecularWeight: 497.67096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)CCCCCC)C#N

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)CCCCCC)C#N

InChI

InChI=1S/C32H39N3O2/c1-3-5-7-9-10-11-13-25-23-34-31(35-24-25)27-17-19-30(20-18-27)37-32(36)28-16-15-26(29(21-28)22-33)14-12-8-6-4-2/h15-21,23-24H,3-14H2,1-2H3