5-[[(2,5-dimethoxyphenyl)methyl-(phenylmethyl)azaniumyl]methyl]furan-2-carboxylate

Systemtic Name: 5-[[(2,5-dimethoxyphenyl)methyl-(phenylmethyl)azaniumyl]methyl]furan-2-carboxylate Openeye Name: 5-[[benzyl-[(2,5-dimethoxyphenyl)methyl]ammonio]methyl]furan-2-carboxylate CAS Name: 5-[[(2,5-dimethoxyphenyl)methyl-(phenylmethyl)ammonio]methyl]-2-furancarboxylate IUPAC Name: 5-[[benzyl-[(2,5-dimethoxyphenyl)methyl]azaniumyl]methyl]furan-2-carboxylate Traditional Name: 5-[[benzyl-(2,5-dimethoxybenzyl)ammonio]methyl]-2-furoate Formula: C22H23NO5 MolecularWeight: 381.42172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C[NH+](CC2=CC=CC=C2)CC3=CC=C(O3)C(=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C[NH+](CC2=CC=CC=C2)CC3=CC=C(O3)C(=O)[O-]

InChI

InChI=1S/C22H23NO5/c1-26-18-8-10-20(27-2)17(12-18)14-23(13-16-6-4-3-5-7-16)15-19-9-11-21(28-19)22(24)25/h3-12H,13-15H2,1-2H3,(H,24,25)