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

Systemtic Name: 4-[[[5-(4-ethoxycarbonylphenyl)furan-2-yl]methylazaniumyl]methyl]benzoate Openeye Name: 4-[[[5-(4-ethoxycarbonylphenyl)-2-furyl]methylammonio]methyl]benzoate CAS Name: 4-[[[5-(4-ethoxycarbonylphenyl)-2-furanyl]methylammonio]methyl]benzoate IUPAC Name: 4-[[[5-(4-ethoxycarbonylphenyl)furan-2-yl]methylazaniumyl]methyl]benzoate Traditional Name: 4-[[[5-(4-carbethoxyphenyl)-2-furyl]methylammonio]methyl]benzoate Formula: C22H21NO5 MolecularWeight: 379.40584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO5/c1-2-27-22(26)18-9-7-16(8-10-18)20-12-11-19(28-20)14-23-13-15-3-5-17(6-4-15)21(24)25/h3-12,23H,2,13-14H2,1H3,(H,24,25)