3-[(4-carboxy-3-chloranyl-phenyl)methyl]-6-chloranyl-2-propyl-benzimidazole-4-carboxylic acid

Systemtic Name: 3-[(4-carboxy-3-chloranyl-phenyl)methyl]-6-chloranyl-2-propyl-benzimidazole-4-carboxylic acid Openeye Name: 3-[(4-carboxy-3-chloro-phenyl)methyl]-6-chloro-2-propyl-benzimidazole-4-carboxylic acid CAS Name: 3-[(4-carboxy-3-chlorophenyl)methyl]-6-chloro-2-propyl-4-benzimidazolecarboxylic acid IUPAC Name: 3-[(4-carboxy-3-chlorophenyl)methyl]-6-chloro-2-propylbenzimidazole-4-carboxylic acid Traditional Name: 3-(4-carboxy-3-chloro-benzyl)-6-chloro-2-propyl-benzimidazole-4-carboxylic acid Formula: C19H16Cl2N2O4 MolecularWeight: 407.24734

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(N1CC3=CC(=C(C=C3)C(=O)O)Cl)C(=CC(=C2)Cl)C(=O)O

Isomeric SMILES

CCCC1=NC2=C(N1CC3=CC(=C(C=C3)C(=O)O)Cl)C(=CC(=C2)Cl)C(=O)O

InChI

InChI=1S/C19H16Cl2N2O4/c1-2-3-16-22-15-8-11(20)7-13(19(26)27)17(15)23(16)9-10-4-5-12(18(24)25)14(21)6-10/h4-8H,2-3,9H2,1H3,(H,24,25)(H,26,27)