disodium 2-[3-bromanyl-2-butyl-5-chloranyl-2-(1H-indazol-5-yl)-4-methoxycarbonyl-imidazol-1-yl]benzoic acid

Systemtic Name: disodium 2-[3-bromanyl-2-butyl-5-chloranyl-2-(1H-indazol-5-yl)-4-methoxycarbonyl-imidazol-1-yl]benzoic acid Openeye Name: disodium 2-[3-bromo-2-butyl-5-chloro-2-(1H-indazol-5-yl)-4-methoxycarbonyl-imidazol-1-yl]benzoic acid CAS Name: disodium 2-[3-bromo-2-butyl-5-chloro-2-(1H-indazol-5-yl)-4-methoxycarbonyl-1-imidazolyl]benzoic acid IUPAC Name: disodium 2-[3-bromo-2-butyl-5-chloro-2-(1H-indazol-5-yl)-4-methoxycarbonylimidazol-1-yl]benzoic acid Traditional Name: disodium 2-[3-bromo-2-butyl-4-carbomethoxy-5-chloro-2-(1H-indazol-5-yl)-4-imidazolin-1-yl]benzoic acid Formula: C23H22BrClN4Na2O4+2 MolecularWeight: 579.78172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(N(C(=C(N1Br)C(=O)OC)Cl)C2=CC=CC=C2C(=O)O)C3=CC4=C(C=C3)NN=C4.[Na+].[Na+]

Isomeric SMILES

CCCCC1(N(C(=C(N1Br)C(=O)OC)Cl)C2=CC=CC=C2C(=O)O)C3=CC4=C(C=C3)NN=C4.[Na+].[Na+]

InChI

InChI=1S/C23H22BrClN4O4.2Na/c1-3-4-11-23(15-9-10-17-14(12-15)13-26-27-17)28(18-8-6-5-7-16(18)21(30)31)20(25)19(29(23)24)22(32)33-2;;/h5-10,12-13H,3-4,11H2,1-2H3,(H,26,27)(H,30,31);;/q;2*+1