2-cyano-1-(2-methylbutyl)-4-phenyl-cyclohexa-2,5-diene-1-carboxylic acid

Systemtic Name: 2-cyano-1-(2-methylbutyl)-4-phenyl-cyclohexa-2,5-diene-1-carboxylic acid Openeye Name: 2-cyano-1-(2-methylbutyl)-4-phenyl-cyclohexa-2,5-diene-1-carboxylic acid CAS Name: 2-cyano-1-(2-methylbutyl)-4-phenyl-1-cyclohexa-2,5-dienecarboxylic acid IUPAC Name: 2-cyano-1-(2-methylbutyl)-4-phenylcyclohexa-2,5-diene-1-carboxylic acid Traditional Name: 2-cyano-1-(2-methylbutyl)-4-phenyl-cyclohexa-2,5-diene-1-carboxylic acid Formula: C19H21NO2 MolecularWeight: 295.37554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC1(C=CC(C=C1C#N)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCC(C)CC1(C=CC(C=C1C#N)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C19H21NO2/c1-3-14(2)12-19(18(21)22)10-9-16(11-17(19)13-20)15-7-5-4-6-8-15/h4-11,14,16H,3,12H2,1-2H3,(H,21,22)