(2-cyano-4-heptyl-phenyl) 4-(4-pentylphenyl)benzoate

Systemtic Name: (2-cyano-4-heptyl-phenyl) 4-(4-pentylphenyl)benzoate Openeye Name: (2-cyano-4-heptyl-phenyl) 4-(4-pentylphenyl)benzoate CAS Name: 4-(4-pentylphenyl)benzoic acid (2-cyano-4-heptylphenyl) ester IUPAC Name: (2-cyano-4-heptylphenyl) 4-(4-pentylphenyl)benzoate Traditional Name: 4-(4-amylphenyl)benzoic acid (2-cyano-4-heptyl-phenyl) ester Formula: C32H37NO2 MolecularWeight: 467.64168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)CCCCC)C#N

Isomeric SMILES

CCCCCCCC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)CCCCC)C#N

InChI

InChI=1S/C32H37NO2/c1-3-5-7-8-10-12-26-15-22-31(30(23-26)24-33)35-32(34)29-20-18-28(19-21-29)27-16-13-25(14-17-27)11-9-6-4-2/h13-23H,3-12H2,1-2H3