[4-(4-cyanophenyl)phenyl] 4-(2-heptylphenyl)benzoate

Systemtic Name: [4-(4-cyanophenyl)phenyl] 4-(2-heptylphenyl)benzoate Openeye Name: [4-(4-cyanophenyl)phenyl] 4-(2-heptylphenyl)benzoate CAS Name: 4-(2-heptylphenyl)benzoic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 4-(2-heptylphenyl)benzoate Traditional Name: 4-(2-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=CC=C1C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

CCCCCCCC1=CC=CC=C1C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C33H31NO2/c1-2-3-4-5-6-9-28-10-7-8-11-32(28)29-16-18-30(19-17-29)33(35)36-31-22-20-27(21-23-31)26-14-12-25(24-34)13-15-26/h7-8,10-23H,2-6,9H2,1H3