2-[1-(2-bromophenyl)carbonylbenzimidazol-2-yl]benzoic acid

Systemtic Name: 2-[1-(2-bromophenyl)carbonylbenzimidazol-2-yl]benzoic acid Openeye Name: 2-[1-(2-bromobenzoyl)benzimidazol-2-yl]benzoic acid CAS Name: 2-[1-[(2-bromophenyl)-oxomethyl]-2-benzimidazolyl]benzoic acid IUPAC Name: 2-[1-(2-bromobenzoyl)benzimidazol-2-yl]benzoic acid Traditional Name: 2-[1-(2-bromobenzoyl)benzimidazol-2-yl]benzoic acid Formula: C21H13BrN2O3 MolecularWeight: 421.24352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3N2C(=O)C4=CC=CC=C4Br)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3N2C(=O)C4=CC=CC=C4Br)C(=O)O

InChI

InChI=1S/C21H13BrN2O3/c22-16-10-4-3-9-15(16)20(25)24-18-12-6-5-11-17(18)23-19(24)13-7-1-2-8-14(13)21(26)27/h1-12H,(H,26,27)