2-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonylamino]hexanoic acid

Systemtic Name: 2-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonylamino]hexanoic acid Openeye Name: 2-[(7-chloro-1,3-benzodioxole-5-carbonyl)amino]hexanoic acid CAS Name: 2-[[(7-chloro-1,3-benzodioxol-5-yl)-oxomethyl]amino]hexanoic acid IUPAC Name: 2-[(7-chloro-1,3-benzodioxole-5-carbonyl)amino]hexanoic acid Traditional Name: 2-[(7-chloropiperonyloyl)amino]hexanoic acid Formula: C14H16ClNO5 MolecularWeight: 313.73354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=O)C1=CC2=C(C(=C1)Cl)OCO2

Isomeric SMILES

CCCCC(C(=O)O)NC(=O)C1=CC2=C(C(=C1)Cl)OCO2

InChI

InChI=1S/C14H16ClNO5/c1-2-3-4-10(14(18)19)16-13(17)8-5-9(15)12-11(6-8)20-7-21-12/h5-6,10H,2-4,7H2,1H3,(H,16,17)(H,18,19)