sodium 2-butyl-5-[[4-(2-carboxyphenyl)phenyl]methyl]-1-chloranyl-2,4-dihydroimidazol-4-ide-3-carboxylic acid

Systemtic Name: sodium 2-butyl-5-[[4-(2-carboxyphenyl)phenyl]methyl]-1-chloranyl-2,4-dihydroimidazol-4-ide-3-carboxylic acid Openeye Name: sodium 2-butyl-5-[[4-(2-carboxyphenyl)phenyl]methyl]-1-chloro-2,4-dihydroimidazol-4-ide-3-carboxylic acid CAS Name: sodium 2-butyl-5-[[4-(2-carboxyphenyl)phenyl]methyl]-1-chloro-2,4-dihydroimidazol-4-ide-3-carboxylic acid IUPAC Name: sodium 2-butyl-5-[[4-(2-carboxyphenyl)phenyl]methyl]-1-chloro-2,4-dihydroimidazol-4-ide-3-carboxylic acid Traditional Name: sodium 2-butyl-4-[4-(2-carboxyphenyl)benzyl]-3-chloro-4-imidazolin-5-ide-1-carboxylic acid Formula: C22H22ClN2NaO4 MolecularWeight: 436.86385

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1N([C-]=C(N1Cl)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)O.[Na+]

Isomeric SMILES

CCCCC1N([C-]=C(N1Cl)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)O.[Na+]

InChI

InChI=1S/C22H22ClN2O4.Na/c1-2-3-8-20-24(22(28)29)14-17(25(20)23)13-15-9-11-16(12-10-15)18-6-4-5-7-19(18)21(26)27;/h4-7,9-12,20H,2-3,8,13H2,1H3,(H,26,27)(H,28,29);/q-1;+1