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

Systemtic Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 3-cyano-4-hexyl-benzoate Openeye Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 3-cyano-4-hexyl-benzoate CAS Name: 3-cyano-4-hexylbenzoic acid [4-(5-pentyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 3-cyano-4-hexylbenzoate Traditional Name: 3-cyano-4-hexyl-benzoic acid [4-(5-amylpyrimidin-2-yl)phenyl] ester Formula: C29H33N3O2 MolecularWeight: 455.59122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCC)C#N

Isomeric SMILES

CCCCCCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCC)C#N

InChI

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