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

Systemtic Name: [4-(4-octoxyphenyl)phenyl] 3-cyano-4-(4-pentylphenyl)benzoate Openeye Name: [4-(4-octoxyphenyl)phenyl] 3-cyano-4-(4-pentylphenyl)benzoate CAS Name: 3-cyano-4-(4-pentylphenyl)benzoic acid [4-(4-octoxyphenyl)phenyl] ester IUPAC Name: [4-(4-octoxyphenyl)phenyl] 3-cyano-4-(4-pentylphenyl)benzoate Traditional Name: 4-(4-amylphenyl)-3-cyano-benzoic acid [4-(4-octoxyphenyl)phenyl] ester Formula: C39H43NO3 MolecularWeight: 573.76362

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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)CCCCC)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)CCCCC)C#N

InChI

InChI=1S/C39H43NO3/c1-3-5-7-8-9-11-27-42-36-22-17-31(18-23-36)32-19-24-37(25-20-32)43-39(41)34-21-26-38(35(28-34)29-40)33-15-13-30(14-16-33)12-10-6-4-2/h13-26,28H,3-12,27H2,1-2H3