[2-cyano-4-(4-pentylphenyl)phenyl] ethanoate

Systemtic Name: [2-cyano-4-(4-pentylphenyl)phenyl] ethanoate Openeye Name: [2-cyano-4-(4-pentylphenyl)phenyl] acetate CAS Name: acetic acid [2-cyano-4-(4-pentylphenyl)phenyl] ester IUPAC Name: [2-cyano-4-(4-pentylphenyl)phenyl] acetate Traditional Name: acetic acid [4-(4-amylphenyl)-2-cyano-phenyl] ester Formula: C20H21NO2 MolecularWeight: 307.38624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO2/c1-3-4-5-6-16-7-9-17(10-8-16)18-11-12-20(23-15(2)22)19(13-18)14-21/h7-13H,3-6H2,1-2H3