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

Systemtic Name: 4-[[[5-(4-methoxycarbonylphenyl)furan-2-yl]methylazaniumyl]methyl]benzoate Openeye Name: 4-[[[5-(4-methoxycarbonylphenyl)-2-furyl]methylammonio]methyl]benzoate CAS Name: 4-[[[5-(4-methoxycarbonylphenyl)-2-furanyl]methylammonio]methyl]benzoate IUPAC Name: 4-[[[5-(4-methoxycarbonylphenyl)furan-2-yl]methylazaniumyl]methyl]benzoate Traditional Name: 4-[[[5-(4-carbomethoxyphenyl)-2-furyl]methylammonio]methyl]benzoate Formula: C21H19NO5 MolecularWeight: 365.37926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19NO5/c1-26-21(25)17-8-6-15(7-9-17)19-11-10-18(27-19)13-22-12-14-2-4-16(5-3-14)20(23)24/h2-11,22H,12-13H2,1H3,(H,23,24)