2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylamino]propanoic acid

Systemtic Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylamino]propanoic acid Openeye Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]amino]propanoic acid CAS Name: 2-[[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]amino]propanoic acid Traditional Name: 2-[(4-piperonylpiperazine-1-carbonyl)amino]propionic acid Formula: C16H21N3O5 MolecularWeight: 335.35504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C(=O)O)NC(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H21N3O5/c1-11(15(20)21)17-16(22)19-6-4-18(5-7-19)9-12-2-3-13-14(8-12)24-10-23-13/h2-3,8,11H,4-7,9-10H2,1H3,(H,17,22)(H,20,21)