2-(1,3-benzodioxol-5-ylamino)hexanoic acid

Systemtic Name: 2-(1,3-benzodioxol-5-ylamino)hexanoic acid Openeye Name: 2-(1,3-benzodioxol-5-ylamino)hexanoic acid CAS Name: 2-(1,3-benzodioxol-5-ylamino)hexanoic acid IUPAC Name: 2-(1,3-benzodioxol-5-ylamino)hexanoic acid Traditional Name: 2-(1,3-benzodioxol-5-ylamino)hexanoic acid Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCCCC(C(=O)O)NC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C13H17NO4/c1-2-3-4-10(13(15)16)14-9-5-6-11-12(7-9)18-8-17-11/h5-7,10,14H,2-4,8H2,1H3,(H,15,16)