(4-octoxyphenyl) 2-cyano-1-octan-2-yloxy-4-phenyl-cyclohexa-2,5-diene-1-carboxylate

Systemtic Name: (4-octoxyphenyl) 2-cyano-1-octan-2-yloxy-4-phenyl-cyclohexa-2,5-diene-1-carboxylate Openeye Name: (4-octoxyphenyl) 2-cyano-1-(1-methylheptoxy)-4-phenyl-cyclohexa-2,5-diene-1-carboxylate CAS Name: 2-cyano-1-octan-2-yloxy-4-phenyl-1-cyclohexa-2,5-dienecarboxylic acid (4-octoxyphenyl) ester IUPAC Name: (4-octoxyphenyl) 2-cyano-1-octan-2-yloxy-4-phenylcyclohexa-2,5-diene-1-carboxylate Traditional Name: 2-cyano-1-(1-methylheptoxy)-4-phenyl-cyclohexa-2,5-diene-1-carboxylic acid (4-octoxyphenyl) ester Formula: C36H47NO4 MolecularWeight: 557.76268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)OC(=O)C2(C=CC(C=C2C#N)C3=CC=CC=C3)OC(C)CCCCCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)OC(=O)C2(C=CC(C=C2C#N)C3=CC=CC=C3)OC(C)CCCCCC

InChI

InChI=1S/C36H47NO4/c1-4-6-8-10-11-16-26-39-33-20-22-34(23-21-33)40-35(38)36(41-29(3)17-13-9-7-5-2)25-24-31(27-32(36)28-37)30-18-14-12-15-19-30/h12,14-15,18-25,27,29,31H,4-11,13,16-17,26H2,1-3H3