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

Systemtic Name: 5-[[1,3-benzodioxol-5-ylmethyl-(phenylmethyl)amino]methyl]furan-2-carboxylic acid Openeye Name: 5-[[1,3-benzodioxol-5-ylmethyl(benzyl)amino]methyl]furan-2-carboxylic acid CAS Name: 5-[[1,3-benzodioxol-5-ylmethyl-(phenylmethyl)amino]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[1,3-benzodioxol-5-ylmethyl(benzyl)amino]methyl]furan-2-carboxylic acid Traditional Name: 5-[[benzyl(piperonyl)amino]methyl]-2-furoic acid Formula: C21H19NO5 MolecularWeight: 365.37926

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN(CC3=CC=CC=C3)CC4=CC=C(O4)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN(CC3=CC=CC=C3)CC4=CC=C(O4)C(=O)O

InChI

InChI=1S/C21H19NO5/c23-21(24)19-9-7-17(27-19)13-22(11-15-4-2-1-3-5-15)12-16-6-8-18-20(10-16)26-14-25-18/h1-10H,11-14H2,(H,23,24)