3-[5-[[(4-carboxylatophenyl)methylazaniumyl]methyl]furan-2-yl]benzoate

Systemtic Name: 3-[5-[[(4-carboxylatophenyl)methylazaniumyl]methyl]furan-2-yl]benzoate Openeye Name: 3-[5-[[(4-carboxylatophenyl)methylammonio]methyl]-2-furyl]benzoate CAS Name: 3-[5-[[(4-carboxylatophenyl)methylammonio]methyl]-2-furanyl]benzoate IUPAC Name: 3-[5-[[(4-carboxylatophenyl)methylazaniumyl]methyl]furan-2-yl]benzoate Traditional Name: 3-[5-[[(4-carboxylatobenzyl)ammonio]methyl]-2-furyl]benzoate Formula: C20H16NO5- MolecularWeight: 350.34474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)[O-])C2=CC=C(O2)C[NH2+]CC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)[O-])C2=CC=C(O2)C[NH2+]CC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C20H17NO5/c22-19(23)14-6-4-13(5-7-14)11-21-12-17-8-9-18(26-17)15-2-1-3-16(10-15)20(24)25/h1-10,21H,11-12H2,(H,22,23)(H,24,25)/p-1