4-[5-[(cyclopentylazaniumyl)methyl]furan-2-yl]benzoate

Systemtic Name: 4-[5-[(cyclopentylazaniumyl)methyl]furan-2-yl]benzoate Openeye Name: 4-[5-[(cyclopentylammonio)methyl]-2-furyl]benzoate CAS Name: 4-[5-[(cyclopentylammonio)methyl]-2-furanyl]benzoate IUPAC Name: 4-[5-[(cyclopentylazaniumyl)methyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(cyclopentylammonio)methyl]-2-furyl]benzoate Formula: C17H19NO3 MolecularWeight: 285.33766

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH2+]CC2=CC=C(O2)C3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1CCC(C1)[NH2+]CC2=CC=C(O2)C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C17H19NO3/c19-17(20)13-7-5-12(6-8-13)16-10-9-15(21-16)11-18-14-3-1-2-4-14/h5-10,14,18H,1-4,11H2,(H,19,20)