2-butyl-3-[1-(4-carboxyphenyl)ethyl]-6-chloranyl-benzimidazole-4-carboxylic acid

Systemtic Name: 2-butyl-3-[1-(4-carboxyphenyl)ethyl]-6-chloranyl-benzimidazole-4-carboxylic acid Openeye Name: 2-butyl-3-[1-(4-carboxyphenyl)ethyl]-6-chloro-benzimidazole-4-carboxylic acid CAS Name: 2-butyl-3-[1-(4-carboxyphenyl)ethyl]-6-chloro-4-benzimidazolecarboxylic acid IUPAC Name: 2-butyl-3-[1-(4-carboxyphenyl)ethyl]-6-chlorobenzimidazole-4-carboxylic acid Traditional Name: 2-butyl-3-[1-(4-carboxyphenyl)ethyl]-6-chloro-benzimidazole-4-carboxylic acid Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1C(C)C3=CC=C(C=C3)C(=O)O)C(=CC(=C2)Cl)C(=O)O

Isomeric SMILES

CCCCC1=NC2=C(N1C(C)C3=CC=C(C=C3)C(=O)O)C(=CC(=C2)Cl)C(=O)O

InChI

InChI=1S/C21H21ClN2O4/c1-3-4-5-18-23-17-11-15(22)10-16(21(27)28)19(17)24(18)12(2)13-6-8-14(9-7-13)20(25)26/h6-12H,3-5H2,1-2H3,(H,25,26)(H,27,28)