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

Systemtic Name: ethyl 3-[(2-chloranyl-4-hept-1-ynyl-phenyl)methyl]-2-methyl-benzimidazole-5-carboxylate Openeye Name: ethyl 3-[(2-chloro-4-hept-1-ynyl-phenyl)methyl]-2-methyl-benzimidazole-5-carboxylate CAS Name: 3-[(2-chloro-4-hept-1-ynylphenyl)methyl]-2-methyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(2-chloro-4-hept-1-ynylphenyl)methyl]-2-methylbenzimidazole-5-carboxylate Traditional Name: 3-(2-chloro-4-hept-1-ynyl-benzyl)-2-methyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C25H27ClN2O2 MolecularWeight: 422.94708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27ClN2O2/c1-4-6-7-8-9-10-19-11-12-21(22(26)15-19)17-28-18(3)27-23-14-13-20(16-24(23)28)25(29)30-5-2/h11-16H,4-8,17H2,1-3H3