5-[2-[[2-(3-bromophenyl)-2-oxidanyl-ethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate

Systemtic Name: 5-[2-[[2-(3-bromophenyl)-2-oxidanyl-ethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate Openeye Name: 5-[2-[[2-(3-bromophenyl)-2-hydroxy-ethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate CAS Name: 5-[2-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate IUPAC Name: 5-[2-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate Traditional Name: 5-[2-[[2-(3-bromophenyl)-2-hydroxy-ethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate Formula: C20H18BrNO7-2 MolecularWeight: 464.26342

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2=C(C=C1)OC(O2)(C(=O)[O-])C(=O)[O-])NCC(C3=CC(=CC=C3)Br)O

Isomeric SMILES

CC(CC1=CC2=C(C=C1)OC(O2)(C(=O)[O-])C(=O)[O-])NCC(C3=CC(=CC=C3)Br)O

InChI

InChI=1S/C20H20BrNO7/c1-11(22-10-15(23)13-3-2-4-14(21)9-13)7-12-5-6-16-17(8-12)29-20(28-16,18(24)25)19(26)27/h2-6,8-9,11,15,22-23H,7,10H2,1H3,(H,24,25)(H,26,27)/p-2