2-[4-(1,3-benzodioxol-5-yl)butan-2-ylamino]ethanoic acid

Systemtic Name: 2-[4-(1,3-benzodioxol-5-yl)butan-2-ylamino]ethanoic acid Openeye Name: 2-[[3-(1,3-benzodioxol-5-yl)-1-methyl-propyl]amino]acetic acid CAS Name: 2-[4-(1,3-benzodioxol-5-yl)butan-2-ylamino]acetic acid IUPAC Name: 2-[4-(1,3-benzodioxol-5-yl)butan-2-ylamino]acetic acid Traditional Name: 2-[[3-(1,3-benzodioxol-5-yl)-1-methyl-propyl]amino]acetic acid Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC2=C(C=C1)OCO2)NCC(=O)O

Isomeric SMILES

CC(CCC1=CC2=C(C=C1)OCO2)NCC(=O)O

InChI

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