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

Systemtic Name: 2-[1-(2-chlorophenyl)-2-thiophen-2-yl-propan-2-yl]-2-(1H-imidazol-5-ylmethylamino)hexanoic acid Openeye Name: 2-[2-(2-chlorophenyl)-1-methyl-1-(2-thienyl)ethyl]-2-(1H-imidazol-5-ylmethylamino)hexanoic acid CAS Name: 2-[1-(2-chlorophenyl)-2-thiophen-2-ylpropan-2-yl]-2-(1H-imidazol-5-ylmethylamino)hexanoic acid IUPAC Name: 2-[1-(2-chlorophenyl)-2-thiophen-2-ylpropan-2-yl]-2-(1H-imidazol-5-ylmethylamino)hexanoic acid Traditional Name: 2-[2-(2-chlorophenyl)-1-methyl-1-(2-thienyl)ethyl]-2-(1H-imidazol-5-ylmethylamino)hexanoic acid Formula: C23H28ClN3O2S MolecularWeight: 446.00532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28ClN3O2S/c1-3-4-11-23(21(28)29,27-15-18-14-25-16-26-18)22(2,20-10-7-12-30-20)13-17-8-5-6-9-19(17)24/h5-10,12,14,16,27H,3-4,11,13,15H2,1-2H3,(H,25,26)(H,28,29)