2-butyl-4-[[4-(2-carboxyphenyl)phenyl]methyl]-3-chloranyl-2H-imidazole-1-carboxylic acid

Systemtic Name: 2-butyl-4-[[4-(2-carboxyphenyl)phenyl]methyl]-3-chloranyl-2H-imidazole-1-carboxylic acid Openeye Name: 2-butyl-4-[[4-(2-carboxyphenyl)phenyl]methyl]-3-chloro-2H-imidazole-1-carboxylic acid CAS Name: 2-butyl-4-[[4-(2-carboxyphenyl)phenyl]methyl]-3-chloro-2H-imidazole-1-carboxylic acid IUPAC Name: 2-butyl-4-[[4-(2-carboxyphenyl)phenyl]methyl]-3-chloro-2H-imidazole-1-carboxylic acid Traditional Name: 2-butyl-4-[4-(2-carboxyphenyl)benzyl]-3-chloro-4-imidazoline-1-carboxylic acid Formula: C22H23ClN2O4 MolecularWeight: 414.88202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1N(C=C(N1Cl)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)O

Isomeric SMILES

CCCCC1N(C=C(N1Cl)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)O

InChI

InChI=1S/C22H23ClN2O4/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/h4-7,9-12,14,20H,2-3,8,13H2,1H3,(H,26,27)(H,28,29)