(2-cyano-4-pentyl-phenyl) 3-cyano-4-hexoxy-benzoate

Systemtic Name: (2-cyano-4-pentyl-phenyl) 3-cyano-4-hexoxy-benzoate Openeye Name: (2-cyano-4-pentyl-phenyl) 3-cyano-4-hexoxy-benzoate CAS Name: 3-cyano-4-hexoxybenzoic acid (2-cyano-4-pentylphenyl) ester IUPAC Name: (2-cyano-4-pentylphenyl) 3-cyano-4-hexoxybenzoate Traditional Name: 3-cyano-4-hexoxy-benzoic acid (4-amyl-2-cyano-phenyl) ester Formula: C26H30N2O3 MolecularWeight: 418.528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2)CCCCC)C#N)C#N

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2)CCCCC)C#N)C#N

InChI

InChI=1S/C26H30N2O3/c1-3-5-7-9-15-30-24-14-12-21(17-23(24)19-28)26(29)31-25-13-11-20(10-8-6-4-2)16-22(25)18-27/h11-14,16-17H,3-10,15H2,1-2H3