4-[1-(1,3-benzodioxol-5-yl)propan-2-yl-methyl-amino]butanoic acid

Systemtic Name: 4-[1-(1,3-benzodioxol-5-yl)propan-2-yl-methyl-amino]butanoic acid Openeye Name: 4-[[2-(1,3-benzodioxol-5-yl)-1-methyl-ethyl]-methyl-amino]butanoic acid CAS Name: 4-[1-(1,3-benzodioxol-5-yl)propan-2-yl-methylamino]butanoic acid IUPAC Name: 4-[1-(1,3-benzodioxol-5-yl)propan-2-yl-methylamino]butanoic acid Traditional Name: 4-[[2-(1,3-benzodioxol-5-yl)-1-methyl-ethyl]-methyl-amino]butyric acid Formula: C15H21NO4 MolecularWeight: 279.33154

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2=C(C=C1)OCO2)N(C)CCCC(=O)O

Isomeric SMILES

CC(CC1=CC2=C(C=C1)OCO2)N(C)CCCC(=O)O

InChI

InChI=1S/C15H21NO4/c1-11(16(2)7-3-4-15(17)18)8-12-5-6-13-14(9-12)20-10-19-13/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,17,18)