2-[[[5-(2-carboxy-2-methyl-hexyl)-4-chloranyl-imidazol-4-yl]-phenyl-methyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[[5-(2-carboxy-2-methyl-hexyl)-4-chloranyl-imidazol-4-yl]-phenyl-methyl]carbamoyl]benzoic acid Openeye Name: 2-[[[5-(2-carboxy-2-methyl-hexyl)-4-chloro-imidazol-4-yl]-phenyl-methyl]carbamoyl]benzoic acid CAS Name: 2-[[[[5-(2-carboxy-2-methylhexyl)-4-chloro-4-imidazolyl]-phenylmethyl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[[5-(2-carboxy-2-methylhexyl)-4-chloroimidazol-4-yl]-phenylmethyl]carbamoyl]benzoic acid Traditional Name: 2-[[[5-(2-carboxy-2-methyl-hexyl)-4-chloro-imidazol-4-yl]-phenyl-methyl]carbamoyl]benzoic acid Formula: C26H28ClN3O5 MolecularWeight: 497.97062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(CC1=NC=NC1(C(C2=CC=CC=C2)NC(=O)C3=CC=CC=C3C(=O)O)Cl)C(=O)O

Isomeric SMILES

CCCCC(C)(CC1=NC=NC1(C(C2=CC=CC=C2)NC(=O)C3=CC=CC=C3C(=O)O)Cl)C(=O)O

InChI

InChI=1S/C26H28ClN3O5/c1-3-4-14-25(2,24(34)35)15-20-26(27,29-16-28-20)21(17-10-6-5-7-11-17)30-22(31)18-12-8-9-13-19(18)23(32)33/h5-13,16,21H,3-4,14-15H2,1-2H3,(H,30,31)(H,32,33)(H,34,35)