methyl 3-[[4-(2-aminocarbonylphenyl)phenyl]methyl]-2-ethyl-benzimidazole-4-carboxylate

Systemtic Name: methyl 3-[[4-(2-aminocarbonylphenyl)phenyl]methyl]-2-ethyl-benzimidazole-4-carboxylate Openeye Name: methyl 3-[[4-(2-carbamoylphenyl)phenyl]methyl]-2-ethyl-benzimidazole-4-carboxylate CAS Name: 3-[[4-(2-carbamoylphenyl)phenyl]methyl]-2-ethyl-4-benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-(2-carbamoylphenyl)phenyl]methyl]-2-ethylbenzimidazole-4-carboxylate Traditional Name: 3-[4-(2-carbamoylphenyl)benzyl]-2-ethyl-benzimidazole-4-carboxylic acid methyl ester Formula: C25H23N3O3 MolecularWeight: 413.46842

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)N)C(=O)OC

Isomeric SMILES

CCC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)N)C(=O)OC

InChI

InChI=1S/C25H23N3O3/c1-3-22-27-21-10-6-9-20(25(30)31-2)23(21)28(22)15-16-11-13-17(14-12-16)18-7-4-5-8-19(18)24(26)29/h4-14H,3,15H2,1-2H3,(H2,26,29)