[4-[4-(5-octylpyrimidin-2-yl)phenyl]phenyl] 2-cyanohexanoate

Systemtic Name: [4-[4-(5-octylpyrimidin-2-yl)phenyl]phenyl] 2-cyanohexanoate Openeye Name: [4-[4-(5-octylpyrimidin-2-yl)phenyl]phenyl] 2-cyanohexanoate CAS Name: 2-cyanohexanoic acid [4-[4-(5-octyl-2-pyrimidinyl)phenyl]phenyl] ester IUPAC Name: [4-[4-(5-octylpyrimidin-2-yl)phenyl]phenyl] 2-cyanohexanoate Traditional Name: 2-cyanohexanoic acid [4-[4-(5-octylpyrimidin-2-yl)phenyl]phenyl] ester Formula: C31H37N3O2 MolecularWeight: 483.64438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H37N3O2/c1-3-5-7-8-9-10-11-24-22-33-30(34-23-24)27-15-13-25(14-16-27)26-17-19-29(20-18-26)36-31(35)28(21-32)12-6-4-2/h13-20,22-23,28H,3-12H2,1-2H3