(4-decoxyphenyl) 3-cyano-4-octoxy-benzoate

Systemtic Name: (4-decoxyphenyl) 3-cyano-4-octoxy-benzoate Openeye Name: (4-decoxyphenyl) 3-cyano-4-octoxy-benzoate CAS Name: 3-cyano-4-octoxybenzoic acid (4-decoxyphenyl) ester IUPAC Name: (4-decoxyphenyl) 3-cyano-4-octoxybenzoate Traditional Name: 3-cyano-4-octoxy-benzoic acid (4-decoxyphenyl) ester Formula: C32H45NO4 MolecularWeight: 507.704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)OCCCCCCCC)C#N

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)OCCCCCCCC)C#N

InChI

InChI=1S/C32H45NO4/c1-3-5-7-9-11-12-14-15-23-35-29-18-20-30(21-19-29)37-32(34)27-17-22-31(28(25-27)26-33)36-24-16-13-10-8-6-4-2/h17-22,25H,3-16,23-24H2,1-2H3