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

Systemtic Name: 3-[4-(1,3-benzodioxol-5-yl)butan-2-ylamino]propanoic acid Openeye Name: 3-[[3-(1,3-benzodioxol-5-yl)-1-methyl-propyl]amino]propanoic acid CAS Name: 3-[4-(1,3-benzodioxol-5-yl)butan-2-ylamino]propanoic acid IUPAC Name: 3-[4-(1,3-benzodioxol-5-yl)butan-2-ylamino]propanoic acid Traditional Name: 3-[[3-(1,3-benzodioxol-5-yl)-1-methyl-propyl]amino]propionic acid Formula: C14H19NO4 MolecularWeight: 265.30496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO4/c1-10(15-7-6-14(16)17)2-3-11-4-5-12-13(8-11)19-9-18-12/h4-5,8,10,15H,2-3,6-7,9H2,1H3,(H,16,17)