ethyl 3-[[2-chloranyl-4-(3-methylbutoxy)phenyl]methyl]-2-methyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 3-[[2-chloranyl-4-(3-methylbutoxy)phenyl]methyl]-2-methyl-benzimidazole-5-carboxylate Openeye Name: ethyl 3-[(2-chloro-4-isopentyloxy-phenyl)methyl]-2-methyl-benzimidazole-5-carboxylate CAS Name: 3-[[2-chloro-4-(3-methylbutoxy)phenyl]methyl]-2-methyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-chloro-4-(3-methylbutoxy)phenyl]methyl]-2-methylbenzimidazole-5-carboxylate Traditional Name: 3-(2-chloro-4-isoamoxy-benzyl)-2-methyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C23H27ClN2O3 MolecularWeight: 414.92508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(N2CC3=C(C=C(C=C3)OCCC(C)C)Cl)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(N2CC3=C(C=C(C=C3)OCCC(C)C)Cl)C

InChI

InChI=1S/C23H27ClN2O3/c1-5-28-23(27)17-7-9-21-22(12-17)26(16(4)25-21)14-18-6-8-19(13-20(18)24)29-11-10-15(2)3/h6-9,12-13,15H,5,10-11,14H2,1-4H3