[4-(4-cyanophenyl)phenyl] 4-(4-heptylphenyl)benzoate

Systemtic Name: [4-(4-cyanophenyl)phenyl] 4-(4-heptylphenyl)benzoate Openeye Name: [4-(4-cyanophenyl)phenyl] 4-(4-heptylphenyl)benzoate CAS Name: 4-(4-heptylphenyl)benzoic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 4-(4-heptylphenyl)benzoate Traditional Name: 4-(4-heptylphenyl)benzoic acid [4-(4-cyanophenyl)phenyl] ester Formula: C33H31NO2 MolecularWeight: 473.60474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C33H31NO2/c1-2-3-4-5-6-7-25-8-12-27(13-9-25)29-16-18-31(19-17-29)33(35)36-32-22-20-30(21-23-32)28-14-10-26(24-34)11-15-28/h8-23H,2-7H2,1H3