(4-cyanophenyl) 5-heptyl-2-phenyl-benzoate

Systemtic Name: (4-cyanophenyl) 5-heptyl-2-phenyl-benzoate Openeye Name: (4-cyanophenyl) 5-heptyl-2-phenyl-benzoate CAS Name: 5-heptyl-2-phenylbenzoic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 5-heptyl-2-phenylbenzoate Traditional Name: 5-heptyl-2-phenyl-benzoic acid (4-cyanophenyl) ester Formula: C27H27NO2 MolecularWeight: 397.50878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27NO2/c1-2-3-4-5-7-10-21-15-18-25(23-11-8-6-9-12-23)26(19-21)27(29)30-24-16-13-22(20-28)14-17-24/h6,8-9,11-19H,2-5,7,10H2,1H3