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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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