[4-(4-octoxyphenyl)phenyl] 3-cyano-4-(4-heptylphenyl)benzoate

Systemtic Name: [4-(4-octoxyphenyl)phenyl] 3-cyano-4-(4-heptylphenyl)benzoate Openeye Name: [4-(4-octoxyphenyl)phenyl] 3-cyano-4-(4-heptylphenyl)benzoate CAS Name: 3-cyano-4-(4-heptylphenyl)benzoic acid [4-(4-octoxyphenyl)phenyl] ester IUPAC Name: [4-(4-octoxyphenyl)phenyl] 3-cyano-4-(4-heptylphenyl)benzoate Traditional Name: 3-cyano-4-(4-heptylphenyl)benzoic acid [4-(4-octoxyphenyl)phenyl] ester Formula: C41H47NO3 MolecularWeight: 601.81678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)C4=CC=C(C=C4)CCCCCCC)C#N

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)C4=CC=C(C=C4)CCCCCCC)C#N

InChI

InChI=1S/C41H47NO3/c1-3-5-7-9-11-13-29-44-38-24-19-33(20-25-38)34-21-26-39(27-22-34)45-41(43)36-23-28-40(37(30-36)31-42)35-17-15-32(16-18-35)14-12-10-8-6-4-2/h15-28,30H,3-14,29H2,1-2H3