heptyl 4-cyanobenzoate

Systemtic Name: heptyl 4-cyanobenzoate Openeye Name: heptyl 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid heptyl ester IUPAC Name: heptyl 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid heptyl ester Formula: C15H19NO2 MolecularWeight: 245.31686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=CC=C(C=C1)C#N

Isomeric SMILES

CCCCCCCOC(=O)C1=CC=C(C=C1)C#N

InChI

InChI=1S/C15H19NO2/c1-2-3-4-5-6-11-18-15(17)14-9-7-13(12-16)8-10-14/h7-10H,2-6,11H2,1H3