4-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonyl-methyl-amino]butanoic acid

Systemtic Name: 4-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonyl-methyl-amino]butanoic acid Openeye Name: 4-[(7-chloro-1,3-benzodioxole-5-carbonyl)-methyl-amino]butanoic acid CAS Name: 4-[[(7-chloro-1,3-benzodioxol-5-yl)-oxomethyl]-methylamino]butanoic acid IUPAC Name: 4-[(7-chloro-1,3-benzodioxole-5-carbonyl)-methylamino]butanoic acid Traditional Name: 4-[(7-chloropiperonyloyl)-methyl-amino]butyric acid Formula: C13H14ClNO5 MolecularWeight: 299.70696

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)C(=O)C1=CC2=C(C(=C1)Cl)OCO2

Isomeric SMILES

CN(CCCC(=O)O)C(=O)C1=CC2=C(C(=C1)Cl)OCO2

InChI

InChI=1S/C13H14ClNO5/c1-15(4-2-3-11(16)17)13(18)8-5-9(14)12-10(6-8)19-7-20-12/h5-6H,2-4,7H2,1H3,(H,16,17)