2-cyanoethyl 4-(4-pentylphenyl)benzoate

Systemtic Name: 2-cyanoethyl 4-(4-pentylphenyl)benzoate Openeye Name: 2-cyanoethyl 4-(4-pentylphenyl)benzoate CAS Name: 4-(4-pentylphenyl)benzoic acid 2-cyanoethyl ester IUPAC Name: 2-cyanoethyl 4-(4-pentylphenyl)benzoate Traditional Name: 4-(4-amylphenyl)benzoic acid 2-cyanoethyl ester Formula: C21H23NO2 MolecularWeight: 321.41282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OCCC#N

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OCCC#N

InChI

InChI=1S/C21H23NO2/c1-2-3-4-6-17-7-9-18(10-8-17)19-11-13-20(14-12-19)21(23)24-16-5-15-22/h7-14H,2-6,16H2,1H3