2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylamino]-3-methyl-butanoic acid Openeye Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylamino]-3-methyl-butanoic acid CAS Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylamino]-3-methylbutanoic acid IUPAC Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylamino]-3-methylbutanoic acid Traditional Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylamino]-3-methyl-butyric acid Formula: C13H16ClNO4 MolecularWeight: 285.72344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NCC1=CC2=C(C(=C1)Cl)OCO2

Isomeric SMILES

CC(C)C(C(=O)O)NCC1=CC2=C(C(=C1)Cl)OCO2

InChI

InChI=1S/C13H16ClNO4/c1-7(2)11(13(16)17)15-5-8-3-9(14)12-10(4-8)18-6-19-12/h3-4,7,11,15H,5-6H2,1-2H3,(H,16,17)