(4-cyanophenyl) 4-heptylbenzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO2/c1-2-3-4-5-6-7-17-8-12-19(13-9-17)21(23)24-20-14-10-18(16-22)11-15-20/h8-15H,2-7H2,1H3