(4-octylphenyl) 2-cyano-4-(5-nonylpyrimidin-2-yl)benzoate

Systemtic Name: (4-octylphenyl) 2-cyano-4-(5-nonylpyrimidin-2-yl)benzoate Openeye Name: (4-octylphenyl) 2-cyano-4-(5-nonylpyrimidin-2-yl)benzoate CAS Name: 2-cyano-4-(5-nonyl-2-pyrimidinyl)benzoic acid (4-octylphenyl) ester IUPAC Name: (4-octylphenyl) 2-cyano-4-(5-nonylpyrimidin-2-yl)benzoate Traditional Name: 2-cyano-4-(5-nonylpyrimidin-2-yl)benzoic acid (4-octylphenyl) 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)C(=O)OC3=CC=C(C=C3)CCCCCCCC)C#N

Isomeric SMILES

CCCCCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCCCCC)C#N

InChI

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