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

Systemtic Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 3-cyano-4-hexyl-benzoate Openeye Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 3-cyano-4-hexyl-benzoate CAS Name: 3-cyano-4-hexylbenzoic acid [4-(5-heptyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 3-cyano-4-hexylbenzoate Traditional Name: 3-cyano-4-hexyl-benzoic acid [4-(5-heptylpyrimidin-2-yl)phenyl] ester Formula: C31H37N3O2 MolecularWeight: 483.64438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)CCCCCC)C#N

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)CCCCCC)C#N

InChI

InChI=1S/C31H37N3O2/c1-3-5-7-9-10-12-24-22-33-30(34-23-24)26-16-18-29(19-17-26)36-31(35)27-15-14-25(28(20-27)21-32)13-11-8-6-4-2/h14-20,22-23H,3-13H2,1-2H3