2-[2-(2-chlorophenyl)-1-thiophen-2-yl-ethyl]-2-(1H-imidazol-5-ylmethylamino)hexanoic acid

Systemtic Name: 2-[2-(2-chlorophenyl)-1-thiophen-2-yl-ethyl]-2-(1H-imidazol-5-ylmethylamino)hexanoic acid Openeye Name: 2-[2-(2-chlorophenyl)-1-(2-thienyl)ethyl]-2-(1H-imidazol-5-ylmethylamino)hexanoic acid CAS Name: 2-[2-(2-chlorophenyl)-1-thiophen-2-ylethyl]-2-(1H-imidazol-5-ylmethylamino)hexanoic acid IUPAC Name: 2-[2-(2-chlorophenyl)-1-thiophen-2-ylethyl]-2-(1H-imidazol-5-ylmethylamino)hexanoic acid Traditional Name: 2-[2-(2-chlorophenyl)-1-(2-thienyl)ethyl]-2-(1H-imidazol-5-ylmethylamino)hexanoic acid Formula: C22H26ClN3O2S MolecularWeight: 431.97874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(CC1=CC=CC=C1Cl)C2=CC=CS2)(C(=O)O)NCC3=CN=CN3

Isomeric SMILES

CCCCC(C(CC1=CC=CC=C1Cl)C2=CC=CS2)(C(=O)O)NCC3=CN=CN3

InChI

InChI=1S/C22H26ClN3O2S/c1-2-3-10-22(21(27)28,26-14-17-13-24-15-25-17)18(20-9-6-11-29-20)12-16-7-4-5-8-19(16)23/h4-9,11,13,15,18,26H,2-3,10,12,14H2,1H3,(H,24,25)(H,27,28)