2-[2-(1,3-benzodioxol-5-yl)ethyl-di(propan-2-yloxy)phosphoryl-amino]ethanoic acid

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)ethyl-di(propan-2-yloxy)phosphoryl-amino]ethanoic acid Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)ethyl-diisopropoxyphosphoryl-amino]acetic acid CAS Name: 2-[2-(1,3-benzodioxol-5-yl)ethyl-di(propan-2-yloxy)phosphorylamino]acetic acid IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)ethyl-di(propan-2-yloxy)phosphorylamino]acetic acid Traditional Name: 2-[diisopropoxyphosphoryl(homopiperonyl)amino]acetic acid Formula: C17H26NO7P MolecularWeight: 387.364601

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OP(=O)(N(CCC1=CC2=C(C=C1)OCO2)CC(=O)O)OC(C)C

Isomeric SMILES

CC(C)OP(=O)(N(CCC1=CC2=C(C=C1)OCO2)CC(=O)O)OC(C)C

InChI

InChI=1S/C17H26NO7P/c1-12(2)24-26(21,25-13(3)4)18(10-17(19)20)8-7-14-5-6-15-16(9-14)23-11-22-15/h5-6,9,12-13H,7-8,10-11H2,1-4H3,(H,19,20)