2-cyano-2-[7-(phenylmethyl)-7-bicyclo[4.2.0]octanyl]ethanoate

Systemtic Name: 2-cyano-2-[7-(phenylmethyl)-7-bicyclo[4.2.0]octanyl]ethanoate Openeye Name: 2-(7-benzyl-7-bicyclo[4.2.0]octanyl)-2-cyano-acetate CAS Name: 2-cyano-2-[7-(phenylmethyl)-7-bicyclo[4.2.0]octanyl]acetate IUPAC Name: 2-(7-benzyl-7-bicyclo[4.2.0]octanyl)-2-cyanoacetate Traditional Name: 2-(7-benzyl-7-bicyclo[4.2.0]octanyl)-2-cyano-acetate Formula: C18H20NO2- MolecularWeight: 282.3569

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)CC2(CC3=CC=CC=C3)C(C#N)C(=O)[O-]

Isomeric SMILES

C1CCC2C(C1)CC2(CC3=CC=CC=C3)C(C#N)C(=O)[O-]

InChI

InChI=1S/C18H21NO2/c19-12-16(17(20)21)18(10-13-6-2-1-3-7-13)11-14-8-4-5-9-15(14)18/h1-3,6-7,14-16H,4-5,8-11H2,(H,20,21)/p-1