(4-octoxyphenyl) 4-(3-cyano-4-pentyl-phenyl)benzoate

Systemtic Name: (4-octoxyphenyl) 4-(3-cyano-4-pentyl-phenyl)benzoate Openeye Name: (4-octoxyphenyl) 4-(3-cyano-4-pentyl-phenyl)benzoate CAS Name: 4-(3-cyano-4-pentylphenyl)benzoic acid (4-octoxyphenyl) ester IUPAC Name: (4-octoxyphenyl) 4-(3-cyano-4-pentylphenyl)benzoate Traditional Name: 4-(4-amyl-3-cyano-phenyl)benzoic acid (4-octoxyphenyl) ester Formula: C33H39NO3 MolecularWeight: 497.66766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H39NO3/c1-3-5-7-8-9-11-23-36-31-19-21-32(22-20-31)37-33(35)28-16-13-27(14-17-28)29-18-15-26(12-10-6-4-2)30(24-29)25-34/h13-22,24H,3-12,23H2,1-2H3