2-[4-[3-[[[2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]methyl]cyclopentyl]phenoxy]propanedioic acid

Systemtic Name: 2-[4-[3-[[[2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]methyl]cyclopentyl]phenoxy]propanedioic acid Openeye Name: 2-[4-[3-[[[2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]methyl]cyclopentyl]phenoxy]propanedioic acid CAS Name: 2-[4-[3-[[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]methyl]cyclopentyl]phenoxy]propanedioic acid IUPAC Name: 2-[4-[3-[[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]methyl]cyclopentyl]phenoxy]propanedioic acid Traditional Name: 2-[4-[3-[[[2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]methyl]cyclopentyl]phenoxy]malonic acid Formula: C23H26ClNO6 MolecularWeight: 447.90864

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC1CNCC(C2=CC(=CC=C2)Cl)O)C3=CC=C(C=C3)OC(C(=O)O)C(=O)O

Isomeric SMILES

C1CC(CC1CNCC(C2=CC(=CC=C2)Cl)O)C3=CC=C(C=C3)OC(C(=O)O)C(=O)O

InChI

InChI=1S/C23H26ClNO6/c24-18-3-1-2-17(11-18)20(26)13-25-12-14-4-5-16(10-14)15-6-8-19(9-7-15)31-21(22(27)28)23(29)30/h1-3,6-9,11,14,16,20-21,25-26H,4-5,10,12-13H2,(H,27,28)(H,29,30)