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

Systemtic Name: ethyl 3-[[2-chloranyl-4-(phenoxymethyl)phenyl]methyl]-2-methyl-benzimidazole-5-carboxylate Openeye Name: ethyl 3-[[2-chloro-4-(phenoxymethyl)phenyl]methyl]-2-methyl-benzimidazole-5-carboxylate CAS Name: 3-[[2-chloro-4-(phenoxymethyl)phenyl]methyl]-2-methyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-chloro-4-(phenoxymethyl)phenyl]methyl]-2-methylbenzimidazole-5-carboxylate Traditional Name: 3-[2-chloro-4-(phenoxymethyl)benzyl]-2-methyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C25H23ClN2O3 MolecularWeight: 434.91472

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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)COC4=CC=CC=C4)Cl)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(N2CC3=C(C=C(C=C3)COC4=CC=CC=C4)Cl)C

InChI

InChI=1S/C25H23ClN2O3/c1-3-30-25(29)19-11-12-23-24(14-19)28(17(2)27-23)15-20-10-9-18(13-22(20)26)16-31-21-7-5-4-6-8-21/h4-14H,3,15-16H2,1-2H3