2-cyano-2-[6-(phenylmethyl)-6-bicyclo[3.2.0]heptanyl]butanoate

Systemtic Name: 2-cyano-2-[6-(phenylmethyl)-6-bicyclo[3.2.0]heptanyl]butanoate Openeye Name: 2-(6-benzyl-6-bicyclo[3.2.0]heptanyl)-2-cyano-butanoate CAS Name: 2-cyano-2-[6-(phenylmethyl)-6-bicyclo[3.2.0]heptanyl]butanoate IUPAC Name: 2-(6-benzyl-6-bicyclo[3.2.0]heptanyl)-2-cyanobutanoate Traditional Name: 2-(6-benzyl-6-bicyclo[3.2.0]heptanyl)-2-cyano-butyrate Formula: C19H22NO2- MolecularWeight: 296.38348

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#N)(C(=O)[O-])C1(CC2C1CCC2)CC3=CC=CC=C3

Isomeric SMILES

CCC(C#N)(C(=O)[O-])C1(CC2C1CCC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H23NO2/c1-2-18(13-20,17(21)22)19(11-14-7-4-3-5-8-14)12-15-9-6-10-16(15)19/h3-5,7-8,15-16H,2,6,9-12H2,1H3,(H,21,22)/p-1