ethyl 2-cyano-2-(2-oct-1-ynylphenyl)ethanoate

Systemtic Name: ethyl 2-cyano-2-(2-oct-1-ynylphenyl)ethanoate Openeye Name: ethyl 2-cyano-2-(2-oct-1-ynylphenyl)acetate CAS Name: 2-cyano-2-(2-oct-1-ynylphenyl)acetic acid ethyl ester IUPAC Name: ethyl 2-cyano-2-(2-oct-1-ynylphenyl)acetate Traditional Name: 2-cyano-2-(2-oct-1-ynylphenyl)acetic acid ethyl ester Formula: C19H23NO2 MolecularWeight: 297.39142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CC1=CC=CC=C1C(C#N)C(=O)OCC

Isomeric SMILES

CCCCCCC#CC1=CC=CC=C1C(C#N)C(=O)OCC

InChI

InChI=1S/C19H23NO2/c1-3-5-6-7-8-9-12-16-13-10-11-14-17(16)18(15-20)19(21)22-4-2/h10-11,13-14,18H,3-8H2,1-2H3