4-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]benzoic acid

Systemtic Name: 4-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]benzoic acid Openeye Name: 4-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]benzoic acid CAS Name: 4-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]benzoic acid IUPAC Name: 4-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]benzoic acid Traditional Name: 4-[[methyl(piperonyl)amino]methyl]benzoic acid Formula: C17H17NO4 MolecularWeight: 299.32118

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=O)O)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)O)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H17NO4/c1-18(9-12-2-5-14(6-3-12)17(19)20)10-13-4-7-15-16(8-13)22-11-21-15/h2-8H,9-11H2,1H3,(H,19,20)