[4-(1-cyano-2-hexyl-cyclopropyl)phenyl] 4-(5-hexylpyrimidin-2-yl)benzoate

Systemtic Name: [4-(1-cyano-2-hexyl-cyclopropyl)phenyl] 4-(5-hexylpyrimidin-2-yl)benzoate Openeye Name: [4-(1-cyano-2-hexyl-cyclopropyl)phenyl] 4-(5-hexylpyrimidin-2-yl)benzoate CAS Name: 4-(5-hexyl-2-pyrimidinyl)benzoic acid [4-(1-cyano-2-hexylcyclopropyl)phenyl] ester IUPAC Name: [4-(1-cyano-2-hexylcyclopropyl)phenyl] 4-(5-hexylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-hexylpyrimidin-2-yl)benzoic acid [4-(1-cyano-2-hexyl-cyclopropyl)phenyl] ester Formula: C33H39N3O2 MolecularWeight: 509.68166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CC1(C#N)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)C4=NC=C(C=N4)CCCCCC

Isomeric SMILES

CCCCCCC1CC1(C#N)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)C4=NC=C(C=N4)CCCCCC

InChI

InChI=1S/C33H39N3O2/c1-3-5-7-9-11-25-22-35-31(36-23-25)26-13-15-27(16-14-26)32(37)38-30-19-17-28(18-20-30)33(24-34)21-29(33)12-10-8-6-4-2/h13-20,22-23,29H,3-12,21H2,1-2H3