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

Systemtic Name: (2S)-2-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]propanoic acid Openeye Name: (2S)-2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]propanoic acid CAS Name: (2S)-2-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]propanoic acid IUPAC Name: (2S)-2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]propanoic acid Traditional Name: (2S)-2-(4-piperonyloylpiperazino)propionic acid Formula: C15H18N2O5 MolecularWeight: 306.31382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H18N2O5/c1-10(15(19)20)16-4-6-17(7-5-16)14(18)11-2-3-12-13(8-11)22-9-21-12/h2-3,8,10H,4-7,9H2,1H3,(H,19,20)/t10-/m0/s1