ethyl 3-[(2-chloranyl-4-hex-1-ynyl-phenyl)methyl]-2-methyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 3-[(2-chloranyl-4-hex-1-ynyl-phenyl)methyl]-2-methyl-benzimidazole-5-carboxylate Openeye Name: ethyl 3-[(2-chloro-4-hex-1-ynyl-phenyl)methyl]-2-methyl-benzimidazole-5-carboxylate CAS Name: 3-[(2-chloro-4-hex-1-ynylphenyl)methyl]-2-methyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(2-chloro-4-hex-1-ynylphenyl)methyl]-2-methylbenzimidazole-5-carboxylate Traditional Name: 3-(2-chloro-4-hex-1-ynyl-benzyl)-2-methyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C24H25ClN2O2 MolecularWeight: 408.9205

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25ClN2O2/c1-4-6-7-8-9-18-10-11-20(21(25)14-18)16-27-17(3)26-22-13-12-19(15-23(22)27)24(28)29-5-2/h10-15H,4-7,16H2,1-3H3