3-[1,3-benzodioxol-5-ylmethyl-[(2,4,6-trimethylphenyl)methyl]amino]propanoic acid

Systemtic Name: 3-[1,3-benzodioxol-5-ylmethyl-[(2,4,6-trimethylphenyl)methyl]amino]propanoic acid Openeye Name: 3-[1,3-benzodioxol-5-ylmethyl-[(2,4,6-trimethylphenyl)methyl]amino]propanoic acid CAS Name: 3-[1,3-benzodioxol-5-ylmethyl-[(2,4,6-trimethylphenyl)methyl]amino]propanoic acid IUPAC Name: 3-[1,3-benzodioxol-5-ylmethyl-[(2,4,6-trimethylphenyl)methyl]amino]propanoic acid Traditional Name: 3-[piperonyl-(2,4,6-trimethylbenzyl)amino]propionic acid Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO4/c1-14-8-15(2)18(16(3)9-14)12-22(7-6-21(23)24)11-17-4-5-19-20(10-17)26-13-25-19/h4-5,8-10H,6-7,11-13H2,1-3H3,(H,23,24)