2-(1,3-benzodioxol-5-yl)-2-(propylamino)propanoic acid

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-2-(propylamino)propanoic acid Openeye Name: 2-(1,3-benzodioxol-5-yl)-2-(propylamino)propanoic acid CAS Name: 2-(1,3-benzodioxol-5-yl)-2-(propylamino)propanoic acid IUPAC Name: 2-(1,3-benzodioxol-5-yl)-2-(propylamino)propanoic acid Traditional Name: 2-(1,3-benzodioxol-5-yl)-2-(propylamino)propionic acid Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(C)(C1=CC2=C(C=C1)OCO2)C(=O)O

Isomeric SMILES

CCCNC(C)(C1=CC2=C(C=C1)OCO2)C(=O)O

InChI

InChI=1S/C13H17NO4/c1-3-6-14-13(2,12(15)16)9-4-5-10-11(7-9)18-8-17-10/h4-5,7,14H,3,6,8H2,1-2H3,(H,15,16)