3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 3-(tert-butoxycarbonylamino)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoic acid CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 3-(tert-butoxycarbonylamino)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propionic acid Formula: C16H21NO6 MolecularWeight: 323.34104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C16H21NO6/c1-16(2,3)23-15(20)17-11(9-14(18)19)10-4-5-12-13(8-10)22-7-6-21-12/h4-5,8,11H,6-7,9H2,1-3H3,(H,17,20)(H,18,19)