[4-(4-cyanophenyl)phenyl] 4-heptylbenzoate

Systemtic Name: [4-(4-cyanophenyl)phenyl] 4-heptylbenzoate Openeye Name: [4-(4-cyanophenyl)phenyl] 4-heptylbenzoate CAS Name: 4-heptylbenzoic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 4-heptylbenzoate Traditional Name: 4-heptylbenzoic acid [4-(4-cyanophenyl)phenyl] ester Formula: C27H27NO2 MolecularWeight: 397.50878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C27H27NO2/c1-2-3-4-5-6-7-21-8-14-25(15-9-21)27(29)30-26-18-16-24(17-19-26)23-12-10-22(20-28)11-13-23/h8-19H,2-7H2,1H3