2-cyano-1-octan-2-yloxy-4-phenyl-cyclohexa-2,5-diene-1-carboxylic acid

Systemtic Name: 2-cyano-1-octan-2-yloxy-4-phenyl-cyclohexa-2,5-diene-1-carboxylic acid Openeye Name: 2-cyano-1-(1-methylheptoxy)-4-phenyl-cyclohexa-2,5-diene-1-carboxylic acid CAS Name: 2-cyano-1-octan-2-yloxy-4-phenyl-1-cyclohexa-2,5-dienecarboxylic acid IUPAC Name: 2-cyano-1-octan-2-yloxy-4-phenylcyclohexa-2,5-diene-1-carboxylic acid Traditional Name: 2-cyano-1-(1-methylheptoxy)-4-phenyl-cyclohexa-2,5-diene-1-carboxylic acid Formula: C22H27NO3 MolecularWeight: 353.45468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1(C=CC(C=C1C#N)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCCCC(C)OC1(C=CC(C=C1C#N)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C22H27NO3/c1-3-4-5-7-10-17(2)26-22(21(24)25)14-13-19(15-20(22)16-23)18-11-8-6-9-12-18/h6,8-9,11-15,17,19H,3-5,7,10H2,1-2H3,(H,24,25)