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

Systemtic Name: 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-3-oxidanyl-butanoic acid Openeye Name: 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-3-hydroxy-butanoic acid CAS Name: 2-[[3-(1,3-benzodioxol-5-yl)-1-oxopropyl]amino]-3-hydroxybutanoic acid IUPAC Name: 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-3-hydroxybutanoic acid Traditional Name: 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-3-hydroxy-butyric acid Formula: C14H17NO6 MolecularWeight: 295.28788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO6/c1-8(16)13(14(18)19)15-12(17)5-3-9-2-4-10-11(6-9)21-7-20-10/h2,4,6,8,13,16H,3,5,7H2,1H3,(H,15,17)(H,18,19)