3-[(2-chloranyl-4-pent-1-ynyl-phenyl)methyl]-2-methyl-benzimidazole-5-carboxylic acid

Systemtic Name: 3-[(2-chloranyl-4-pent-1-ynyl-phenyl)methyl]-2-methyl-benzimidazole-5-carboxylic acid Openeye Name: 3-[(2-chloro-4-pent-1-ynyl-phenyl)methyl]-2-methyl-benzimidazole-5-carboxylic acid CAS Name: 3-[(2-chloro-4-pent-1-ynylphenyl)methyl]-2-methyl-5-benzimidazolecarboxylic acid IUPAC Name: 3-[(2-chloro-4-pent-1-ynylphenyl)methyl]-2-methylbenzimidazole-5-carboxylic acid Traditional Name: 3-(2-chloro-4-pent-1-ynyl-benzyl)-2-methyl-benzimidazole-5-carboxylic acid Formula: C21H19ClN2O2 MolecularWeight: 366.84076

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CC1=CC(=C(C=C1)CN2C(=NC3=C2C=C(C=C3)C(=O)O)C)Cl

Isomeric SMILES

CCCC#CC1=CC(=C(C=C1)CN2C(=NC3=C2C=C(C=C3)C(=O)O)C)Cl

InChI

InChI=1S/C21H19ClN2O2/c1-3-4-5-6-15-7-8-17(18(22)11-15)13-24-14(2)23-19-10-9-16(21(25)26)12-20(19)24/h7-12H,3-4,13H2,1-2H3,(H,25,26)