5-[[1,3-benzodioxol-5-ylmethyl-[(3,4-dimethoxyphenyl)methyl]amino]methyl]furan-2-carboxylic acid

Systemtic Name: 5-[[1,3-benzodioxol-5-ylmethyl-[(3,4-dimethoxyphenyl)methyl]amino]methyl]furan-2-carboxylic acid Openeye Name: 5-[[1,3-benzodioxol-5-ylmethyl-[(3,4-dimethoxyphenyl)methyl]amino]methyl]furan-2-carboxylic acid CAS Name: 5-[[1,3-benzodioxol-5-ylmethyl-[(3,4-dimethoxyphenyl)methyl]amino]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[1,3-benzodioxol-5-ylmethyl-[(3,4-dimethoxyphenyl)methyl]amino]methyl]furan-2-carboxylic acid Traditional Name: 5-[[piperonyl(veratryl)amino]methyl]-2-furoic acid Formula: C23H23NO7 MolecularWeight: 425.43122

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CC2=CC3=C(C=C2)OCO3)CC4=CC=C(O4)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CC2=CC3=C(C=C2)OCO3)CC4=CC=C(O4)C(=O)O)OC

InChI

InChI=1S/C23H23NO7/c1-27-18-6-3-15(9-21(18)28-2)11-24(13-17-5-8-20(31-17)23(25)26)12-16-4-7-19-22(10-16)30-14-29-19/h3-10H,11-14H2,1-2H3,(H,25,26)