2-acetamido-6-[[1-(carboxymethyl)-3-hexyl-2H-imidazol-4-yl]carbamoyl]benzoic acid

Systemtic Name: 2-acetamido-6-[[1-(carboxymethyl)-3-hexyl-2H-imidazol-4-yl]carbamoyl]benzoic acid Openeye Name: 2-acetamido-6-[[1-(carboxymethyl)-3-hexyl-2H-imidazol-4-yl]carbamoyl]benzoic acid CAS Name: 2-acetamido-6-[[[1-(carboxymethyl)-3-hexyl-2H-imidazol-4-yl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-acetamido-6-[[1-(carboxymethyl)-3-hexyl-2H-imidazol-4-yl]carbamoyl]benzoic acid Traditional Name: 2-acetamido-6-[[1-(carboxymethyl)-3-hexyl-4-imidazolin-4-yl]carbamoyl]benzoic acid Formula: C21H28N4O6 MolecularWeight: 432.47022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1CN(C=C1NC(=O)C2=C(C(=CC=C2)NC(=O)C)C(=O)O)CC(=O)O

Isomeric SMILES

CCCCCCN1CN(C=C1NC(=O)C2=C(C(=CC=C2)NC(=O)C)C(=O)O)CC(=O)O

InChI

InChI=1S/C21H28N4O6/c1-3-4-5-6-10-25-13-24(12-18(27)28)11-17(25)23-20(29)15-8-7-9-16(22-14(2)26)19(15)21(30)31/h7-9,11H,3-6,10,12-13H2,1-2H3,(H,22,26)(H,23,29)(H,27,28)(H,30,31)