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

Systemtic Name: 3-[(2-chloranyl-4-hept-1-ynyl-phenyl)methyl]-2-methyl-benzimidazole-5-carboxylic acid Openeye Name: 3-[(2-chloro-4-hept-1-ynyl-phenyl)methyl]-2-methyl-benzimidazole-5-carboxylic acid CAS Name: 3-[(2-chloro-4-hept-1-ynylphenyl)methyl]-2-methyl-5-benzimidazolecarboxylic acid IUPAC Name: 3-[(2-chloro-4-hept-1-ynylphenyl)methyl]-2-methylbenzimidazole-5-carboxylic acid Traditional Name: 3-(2-chloro-4-hept-1-ynyl-benzyl)-2-methyl-benzimidazole-5-carboxylic acid Formula: C23H23ClN2O2 MolecularWeight: 394.89392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23ClN2O2/c1-3-4-5-6-7-8-17-9-10-19(20(24)13-17)15-26-16(2)25-21-12-11-18(23(27)28)14-22(21)26/h9-14H,3-6,15H2,1-2H3,(H,27,28)