carboxy (2R)-4,6-diethyl-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-benzodioxole-2-carboxylate

Systemtic Name: carboxy (2R)-4,6-diethyl-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-benzodioxole-2-carboxylate Openeye Name: carboxy (2R)-5-[2-(tert-butoxycarbonylamino)propyl]-4,6-diethyl-1,3-benzodioxole-2-carboxylate CAS Name: (2R)-4,6-diethyl-5-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl]-1,3-benzodioxole-2-carboxylic acid carboxy ester IUPAC Name: carboxy (2R)-4,6-diethyl-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-benzodioxole-2-carboxylate Traditional Name: (2R)-5-[2-(tert-butoxycarbonylamino)propyl]-4,6-diethyl-1,3-benzodioxole-2-carboxylic acid carboxy ester Formula: C21H29NO8 MolecularWeight: 423.45686

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C(=C1CC(C)NC(=O)OC(C)(C)C)CC)OC(O2)C(=O)OC(=O)O

Isomeric SMILES

CCC1=CC2=C(C(=C1CC(C)NC(=O)OC(C)(C)C)CC)O[C@@H](O2)C(=O)OC(=O)O

InChI

InChI=1S/C21H29NO8/c1-7-12-10-15-16(28-18(27-15)17(23)29-20(25)26)13(8-2)14(12)9-11(3)22-19(24)30-21(4,5)6/h10-11,18H,7-9H2,1-6H3,(H,22,24)(H,25,26)/t11?,18-/m1/s1