3-[1,3-benzodioxol-5-ylmethyl-[(4-tert-butylphenyl)methyl]amino]propanoic acid

Systemtic Name: 3-[1,3-benzodioxol-5-ylmethyl-[(4-tert-butylphenyl)methyl]amino]propanoic acid Openeye Name: 3-[1,3-benzodioxol-5-ylmethyl-[(4-tert-butylphenyl)methyl]amino]propanoic acid CAS Name: 3-[1,3-benzodioxol-5-ylmethyl-[(4-tert-butylphenyl)methyl]amino]propanoic acid IUPAC Name: 3-[1,3-benzodioxol-5-ylmethyl-[(4-tert-butylphenyl)methyl]amino]propanoic acid Traditional Name: 3-[(4-tert-butylbenzyl)-piperonyl-amino]propionic acid Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO4/c1-22(2,3)18-7-4-16(5-8-18)13-23(11-10-21(24)25)14-17-6-9-19-20(12-17)27-15-26-19/h4-9,12H,10-11,13-15H2,1-3H3,(H,24,25)