(4-octylphenyl) 3-cyano-4-decoxy-benzoate

Systemtic Name: (4-octylphenyl) 3-cyano-4-decoxy-benzoate Openeye Name: (4-octylphenyl) 3-cyano-4-decoxy-benzoate CAS Name: 3-cyano-4-decoxybenzoic acid (4-octylphenyl) ester IUPAC Name: (4-octylphenyl) 3-cyano-4-decoxybenzoate Traditional Name: 3-cyano-4-decoxy-benzoic acid (4-octylphenyl) ester Formula: C32H45NO3 MolecularWeight: 491.7046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)CCCCCCCC)C#N

Isomeric SMILES

CCCCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)CCCCCCCC)C#N

InChI

InChI=1S/C32H45NO3/c1-3-5-7-9-11-12-14-16-24-35-31-23-20-28(25-29(31)26-33)32(34)36-30-21-18-27(19-22-30)17-15-13-10-8-6-4-2/h18-23,25H,3-17,24H2,1-2H3