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

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

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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)CCCCCC)C#N

Isomeric SMILES

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

InChI

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