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

Systemtic Name: 5-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]-1,3-benzodioxole-2-carboxylic acid Openeye Name: 5-[2-[tert-butoxycarbonyl(ethyl)amino]propyl]-1,3-benzodioxole-2-carboxylic acid CAS Name: 5-[2-[ethyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl]-1,3-benzodioxole-2-carboxylic acid IUPAC Name: 5-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]-1,3-benzodioxole-2-carboxylic acid Traditional Name: 5-[2-[tert-butoxycarbonyl(ethyl)amino]propyl]-1,3-benzodioxole-2-carboxylic acid Formula: C18H25NO6 MolecularWeight: 351.3942

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(C)CC1=CC2=C(C=C1)OC(O2)C(=O)O)C(=O)OC(C)(C)C

Isomeric SMILES

CCN(C(C)CC1=CC2=C(C=C1)OC(O2)C(=O)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C18H25NO6/c1-6-19(17(22)25-18(3,4)5)11(2)9-12-7-8-13-14(10-12)24-16(23-13)15(20)21/h7-8,10-11,16H,6,9H2,1-5H3,(H,20,21)