2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-3-methyl-butanoic acid Openeye Name: 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-3-methyl-butanoic acid CAS Name: 2-[[3-(1,3-benzodioxol-5-yl)-1-oxopropyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-3-methylbutanoic acid Traditional Name: 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-3-methyl-butyric acid Formula: C15H19NO5 MolecularWeight: 293.31506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO5/c1-9(2)14(15(18)19)16-13(17)6-4-10-3-5-11-12(7-10)21-8-20-11/h3,5,7,9,14H,4,6,8H2,1-2H3,(H,16,17)(H,18,19)