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

Systemtic Name: dimethyl 2-[[(2R)-5-[2-[[(2R)-2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]propyl]-1,3-benzodioxol-2-yl]oxy]propanedioate Openeye Name: dimethyl 2-[[(2R)-5-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]propyl]-1,3-benzodioxol-2-yl]oxy]propanedioate CAS Name: 2-[[(2R)-5-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxol-2-yl]oxy]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[(2R)-5-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxol-2-yl]oxy]propanedioate Traditional Name: 2-[[(2R)-5-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]propyl]-1,3-benzodioxol-2-yl]oxy]malonic acid dimethyl ester Formula: C23H26ClNO8 MolecularWeight: 479.90744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H26ClNO8/c1-13(25-12-17(26)15-5-4-6-16(24)11-15)9-14-7-8-18-19(10-14)32-23(31-18)33-20(21(27)29-2)22(28)30-3/h4-8,10-11,13,17,20,23,25-26H,9,12H2,1-3H3/t13?,17-,23+/m0/s1