(4-cyanophenyl) 2-heptylbenzoate

Systemtic Name: (4-cyanophenyl) 2-heptylbenzoate Openeye Name: (4-cyanophenyl) 2-heptylbenzoate CAS Name: 2-heptylbenzoic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 2-heptylbenzoate Traditional Name: 2-heptylbenzoic acid (4-cyanophenyl) ester Formula: C21H23NO2 MolecularWeight: 321.41282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCCCCC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H23NO2/c1-2-3-4-5-6-9-18-10-7-8-11-20(18)21(23)24-19-14-12-17(16-22)13-15-19/h7-8,10-15H,2-6,9H2,1H3