2-[(E)-but-1-enyl]-3-[(4-carboxyphenyl)methyl]-5-chloranyl-benzimidazole-4-carboxylic acid

Systemtic Name: 2-[(E)-but-1-enyl]-3-[(4-carboxyphenyl)methyl]-5-chloranyl-benzimidazole-4-carboxylic acid Openeye Name: 2-[(E)-but-1-enyl]-3-[(4-carboxyphenyl)methyl]-5-chloro-benzimidazole-4-carboxylic acid CAS Name: 2-[(E)-but-1-enyl]-3-[(4-carboxyphenyl)methyl]-5-chloro-4-benzimidazolecarboxylic acid IUPAC Name: 2-[(E)-but-1-enyl]-3-[(4-carboxyphenyl)methyl]-5-chlorobenzimidazole-4-carboxylic acid Traditional Name: 2-[(E)-but-1-enyl]-3-(4-carboxybenzyl)-5-chloro-benzimidazole-4-carboxylic acid Formula: C20H17ClN2O4 MolecularWeight: 384.81298

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CC1=NC2=C(N1CC3=CC=C(C=C3)C(=O)O)C(=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CC/C=C/C1=NC2=C(N1CC3=CC=C(C=C3)C(=O)O)C(=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C20H17ClN2O4/c1-2-3-4-16-22-15-10-9-14(21)17(20(26)27)18(15)23(16)11-12-5-7-13(8-6-12)19(24)25/h3-10H,2,11H2,1H3,(H,24,25)(H,26,27)/b4-3+