(4-octoxyphenyl) 4-(3-cyano-4-heptyl-phenyl)benzoate

Systemtic Name: (4-octoxyphenyl) 4-(3-cyano-4-heptyl-phenyl)benzoate Openeye Name: (4-octoxyphenyl) 4-(3-cyano-4-heptyl-phenyl)benzoate CAS Name: 4-(3-cyano-4-heptylphenyl)benzoic acid (4-octoxyphenyl) ester IUPAC Name: (4-octoxyphenyl) 4-(3-cyano-4-heptylphenyl)benzoate Traditional Name: 4-(3-cyano-4-heptyl-phenyl)benzoic acid (4-octoxyphenyl) ester Formula: C35H43NO3 MolecularWeight: 525.72082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC(=C(C=C3)CCCCCCC)C#N

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC(=C(C=C3)CCCCCCC)C#N

InChI

InChI=1S/C35H43NO3/c1-3-5-7-9-11-13-25-38-33-21-23-34(24-22-33)39-35(37)30-18-15-29(16-19-30)31-20-17-28(32(26-31)27-36)14-12-10-8-6-4-2/h15-24,26H,3-14,25H2,1-2H3