2-[[2-butyl-4-(carboxymethyl)-5-chloranyl-5-(phenylmethyl)-1H-imidazol-2-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[2-butyl-4-(carboxymethyl)-5-chloranyl-5-(phenylmethyl)-1H-imidazol-2-yl]carbamoyl]benzoic acid Openeye Name: 2-[[5-benzyl-2-butyl-4-(carboxymethyl)-5-chloro-1H-imidazol-2-yl]carbamoyl]benzoic acid CAS Name: 2-[[[2-butyl-4-(carboxymethyl)-5-chloro-5-(phenylmethyl)-1H-imidazol-2-yl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[5-benzyl-2-butyl-4-(carboxymethyl)-5-chloro-1H-imidazol-2-yl]carbamoyl]benzoic acid Traditional Name: 2-[[4-benzyl-2-butyl-5-(carboxymethyl)-4-chloro-3-imidazolin-2-yl]carbamoyl]benzoic acid Formula: C24H26ClN3O5 MolecularWeight: 471.93334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(NC(C(=N1)CC(=O)O)(CC2=CC=CC=C2)Cl)NC(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCCC1(NC(C(=N1)CC(=O)O)(CC2=CC=CC=C2)Cl)NC(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C24H26ClN3O5/c1-2-3-13-24(27-21(31)17-11-7-8-12-18(17)22(32)33)26-19(14-20(29)30)23(25,28-24)15-16-9-5-4-6-10-16/h4-12,28H,2-3,13-15H2,1H3,(H,27,31)(H,29,30)(H,32,33)