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

Systemtic Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 3-cyano-4-octyl-benzoate Openeye Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 3-cyano-4-octyl-benzoate CAS Name: 3-cyano-4-octylbenzoic acid [4-(5-nonyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 3-cyano-4-octylbenzoate Traditional Name: 3-cyano-4-octyl-benzoic acid [4-(5-nonylpyrimidin-2-yl)phenyl] ester Formula: C35H45N3O2 MolecularWeight: 539.7507

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)CCCCCCCC)C#N

Isomeric SMILES

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)CCCCCCCC)C#N

InChI

InChI=1S/C35H45N3O2/c1-3-5-7-9-11-12-14-16-28-26-37-34(38-27-28)30-20-22-33(23-21-30)40-35(39)31-19-18-29(32(24-31)25-36)17-15-13-10-8-6-4-2/h18-24,26-27H,3-17H2,1-2H3