4-[2-acetyloxy-3-[4-[3-[2,2-bis(4-chlorophenyl)ethyl-methyl-amino]propyl]phenoxy]propoxy]benzoic acid

Systemtic Name: 4-[2-acetyloxy-3-[4-[3-[2,2-bis(4-chlorophenyl)ethyl-methyl-amino]propyl]phenoxy]propoxy]benzoic acid Openeye Name: 4-[2-acetoxy-3-[4-[3-[2,2-bis(4-chlorophenyl)ethyl-methyl-amino]propyl]phenoxy]propoxy]benzoic acid CAS Name: 4-[2-acetyloxy-3-[4-[3-[2,2-bis(4-chlorophenyl)ethyl-methylamino]propyl]phenoxy]propoxy]benzoic acid IUPAC Name: 4-[2-acetyloxy-3-[4-[3-[2,2-bis(4-chlorophenyl)ethyl-methylamino]propyl]phenoxy]propoxy]benzoic acid Traditional Name: 4-[2-acetoxy-3-[4-[3-[2,2-bis(4-chlorophenyl)ethyl-methyl-amino]propyl]phenoxy]propoxy]benzoic acid Formula: C36H37Cl2NO6 MolecularWeight: 650.58808

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(COC1=CC=C(C=C1)CCCN(C)CC(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)COC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC(=O)OC(COC1=CC=C(C=C1)CCCN(C)CC(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)COC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C36H37Cl2NO6/c1-25(40)45-34(24-44-33-19-11-29(12-20-33)36(41)42)23-43-32-17-5-26(6-18-32)4-3-21-39(2)22-35(27-7-13-30(37)14-8-27)28-9-15-31(38)16-10-28/h5-20,34-35H,3-4,21-24H2,1-2H3,(H,41,42)