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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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