5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-benzodioxole-2-carboxylic acid

Systemtic Name: 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-benzodioxole-2-carboxylic acid Openeye Name: 5-[2-(tert-butoxycarbonylamino)propyl]-1,3-benzodioxole-2-carboxylic acid CAS Name: 5-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl]-1,3-benzodioxole-2-carboxylic acid IUPAC Name: 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-benzodioxole-2-carboxylic acid Traditional Name: 5-[2-(tert-butoxycarbonylamino)propyl]-1,3-benzodioxole-2-carboxylic acid Formula: C16H21NO6 MolecularWeight: 323.34104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2=C(C=C1)OC(O2)C(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(CC1=CC2=C(C=C1)OC(O2)C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C16H21NO6/c1-9(17-15(20)23-16(2,3)4)7-10-5-6-11-12(8-10)22-14(21-11)13(18)19/h5-6,8-9,14H,7H2,1-4H3,(H,17,20)(H,18,19)