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

Systemtic Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylamino]-3-methyl-butanoic acid Openeye Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]amino]-3-methylbutanoic acid Traditional Name: 3-methyl-2-[(4-piperonylpiperazine-1-carbonyl)amino]butyric acid Formula: C18H25N3O5 MolecularWeight: 363.4082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O5/c1-12(2)16(17(22)23)19-18(24)21-7-5-20(6-8-21)10-13-3-4-14-15(9-13)26-11-25-14/h3-4,9,12,16H,5-8,10-11H2,1-2H3,(H,19,24)(H,22,23)