2-[2-(2-chlorophenyl)-1-thiophen-3-yl-ethyl]-2-(1H-imidazol-5-ylmethylamino)hexanoic acid

Systemtic Name: 2-[2-(2-chlorophenyl)-1-thiophen-3-yl-ethyl]-2-(1H-imidazol-5-ylmethylamino)hexanoic acid Openeye Name: 2-[2-(2-chlorophenyl)-1-(3-thienyl)ethyl]-2-(1H-imidazol-5-ylmethylamino)hexanoic acid CAS Name: 2-[2-(2-chlorophenyl)-1-(3-thiophenyl)ethyl]-2-(1H-imidazol-5-ylmethylamino)hexanoic acid IUPAC Name: 2-[2-(2-chlorophenyl)-1-thiophen-3-ylethyl]-2-(1H-imidazol-5-ylmethylamino)hexanoic acid Traditional Name: 2-[2-(2-chlorophenyl)-1-(3-thienyl)ethyl]-2-(1H-imidazol-5-ylmethylamino)hexanoic acid Formula: C22H26ClN3O2S MolecularWeight: 431.97874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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