4-[4-(pentylazaniumylidynemethyl)phenyl]benzoate

Systemtic Name: 4-[4-(pentylazaniumylidynemethyl)phenyl]benzoate Openeye Name: 4-[4-(pentylnitriliomethyl)phenyl]benzoate CAS Name: 4-[4-(pentylnitriliomethyl)phenyl]benzoate IUPAC Name: 4-[4-(pentylazaniumylidynemethyl)phenyl]benzoate Traditional Name: 4-[4-(amylnitriliomethyl)phenyl]benzoate Formula: C19H19NO2 MolecularWeight: 293.35966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[N+]#CC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CCCCC[N+]#CC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C19H19NO2/c1-2-3-4-13-20-14-15-5-7-16(8-6-15)17-9-11-18(12-10-17)19(21)22/h5-12H,2-4,13H2,1H3