4-(2-butyl-4-cyano-phenyl)benzoate

Systemtic Name: 4-(2-butyl-4-cyano-phenyl)benzoate Openeye Name: 4-(2-butyl-4-cyano-phenyl)benzoate CAS Name: 4-(2-butyl-4-cyanophenyl)benzoate IUPAC Name: 4-(2-butyl-4-cyanophenyl)benzoate Traditional Name: 4-(2-butyl-4-cyano-phenyl)benzoate Formula: C18H16NO2- MolecularWeight: 278.32514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC(=C1)C#N)C2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CCCCC1=C(C=CC(=C1)C#N)C2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C18H17NO2/c1-2-3-4-16-11-13(12-19)5-10-17(16)14-6-8-15(9-7-14)18(20)21/h5-11H,2-4H2,1H3,(H,20,21)/p-1