3-[1,3-benzodioxol-5-ylmethyl-[(3-bromophenyl)methyl]amino]propanoic acid

Systemtic Name: 3-[1,3-benzodioxol-5-ylmethyl-[(3-bromophenyl)methyl]amino]propanoic acid Openeye Name: 3-[1,3-benzodioxol-5-ylmethyl-[(3-bromophenyl)methyl]amino]propanoic acid CAS Name: 3-[1,3-benzodioxol-5-ylmethyl-[(3-bromophenyl)methyl]amino]propanoic acid IUPAC Name: 3-[1,3-benzodioxol-5-ylmethyl-[(3-bromophenyl)methyl]amino]propanoic acid Traditional Name: 3-[(3-bromobenzyl)-piperonyl-amino]propionic acid Formula: C18H18BrNO4 MolecularWeight: 392.24382

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN(CCC(=O)O)CC3=CC(=CC=C3)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN(CCC(=O)O)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C18H18BrNO4/c19-15-3-1-2-13(8-15)10-20(7-6-18(21)22)11-14-4-5-16-17(9-14)24-12-23-16/h1-5,8-9H,6-7,10-12H2,(H,21,22)