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

Systemtic Name: 2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylamino]-2-methyl-pentanoic acid Openeye Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylamino]-2-methyl-pentanoic acid CAS Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylamino]-2-methylpentanoic acid IUPAC Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylamino]-2-methylpentanoic acid Traditional Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylamino]-2-methyl-valeric acid Formula: C14H18ClNO4 MolecularWeight: 299.75002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18ClNO4/c1-3-4-14(2,13(17)18)16-7-9-5-10(15)12-11(6-9)19-8-20-12/h5-6,16H,3-4,7-8H2,1-2H3,(H,17,18)