dimethyl 2-[[(2R)-5-[2-[[(2R)-2-(3,4-dichlorophenyl)-2-oxidanyl-ethyl]amino]propyl]-1,3-benzodioxol-2-yl]oxy]propanedioate

Systemtic Name: dimethyl 2-[[(2R)-5-[2-[[(2R)-2-(3,4-dichlorophenyl)-2-oxidanyl-ethyl]amino]propyl]-1,3-benzodioxol-2-yl]oxy]propanedioate Openeye Name: dimethyl 2-[[(2R)-5-[2-[[(2R)-2-(3,4-dichlorophenyl)-2-hydroxy-ethyl]amino]propyl]-1,3-benzodioxol-2-yl]oxy]propanedioate CAS Name: 2-[[(2R)-5-[2-[[(2R)-2-(3,4-dichlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxol-2-yl]oxy]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[(2R)-5-[2-[[(2R)-2-(3,4-dichlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxol-2-yl]oxy]propanedioate Traditional Name: 2-[[(2R)-5-[2-[[(2R)-2-(3,4-dichlorophenyl)-2-hydroxy-ethyl]amino]propyl]-1,3-benzodioxol-2-yl]oxy]malonic acid dimethyl ester Formula: C23H25Cl2NO8 MolecularWeight: 514.3525

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2=C(C=C1)OC(O2)OC(C(=O)OC)C(=O)OC)NCC(C3=CC(=C(C=C3)Cl)Cl)O

Isomeric SMILES

CC(CC1=CC2=C(C=C1)O[C@H](O2)OC(C(=O)OC)C(=O)OC)NC[C@@H](C3=CC(=C(C=C3)Cl)Cl)O

InChI

InChI=1S/C23H25Cl2NO8/c1-12(26-11-17(27)14-5-6-15(24)16(25)10-14)8-13-4-7-18-19(9-13)33-23(32-18)34-20(21(28)30-2)22(29)31-3/h4-7,9-10,12,17,20,23,26-27H,8,11H2,1-3H3/t12?,17-,23+/m0/s1