(2R)-2-(azaniumylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propanoate

Systemtic Name: (2R)-2-(azaniumylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propanoate Openeye Name: (2R)-2-(azaniumylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propanoate CAS Name: (2R)-2-(ammoniomethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanoate IUPAC Name: (2R)-2-(azaniumylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanoate Traditional Name: (2R)-2-(ammoniomethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propionate Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2=C(C=C1)OCCO2)(C[NH3+])C(=O)[O-]

Isomeric SMILES

C[C@@](CC1=CC2=C(C=C1)OCCO2)(C[NH3+])C(=O)[O-]

InChI

InChI=1S/C13H17NO4/c1-13(8-14,12(15)16)7-9-2-3-10-11(6-9)18-5-4-17-10/h2-3,6H,4-5,7-8,14H2,1H3,(H,15,16)/t13-/m1/s1