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

Systemtic Name: 4-[[[5-(3-methoxyphenyl)furan-2-yl]methylazaniumyl]methyl]benzoate Openeye Name: 4-[[[5-(3-methoxyphenyl)-2-furyl]methylammonio]methyl]benzoate CAS Name: 4-[[[5-(3-methoxyphenyl)-2-furanyl]methylammonio]methyl]benzoate IUPAC Name: 4-[[[5-(3-methoxyphenyl)furan-2-yl]methylazaniumyl]methyl]benzoate Traditional Name: 4-[[[5-(3-methoxyphenyl)-2-furyl]methylammonio]methyl]benzoate Formula: C20H19NO4 MolecularWeight: 337.36916

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC=C(O2)C[NH2+]CC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC=C(O2)C[NH2+]CC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C20H19NO4/c1-24-17-4-2-3-16(11-17)19-10-9-18(25-19)13-21-12-14-5-7-15(8-6-14)20(22)23/h2-11,21H,12-13H2,1H3,(H,22,23)