3-[[4-(2-dimethylaminoethyloxycarbonyl)phenyl]methyl]-2-ethoxy-benzimidazole-5-carboxylic acid

Systemtic Name: 3-[[4-(2-dimethylaminoethyloxycarbonyl)phenyl]methyl]-2-ethoxy-benzimidazole-5-carboxylic acid Openeye Name: 3-[[4-(2-dimethylaminoethyloxycarbonyl)phenyl]methyl]-2-ethoxy-benzimidazole-5-carboxylic acid CAS Name: 3-[[4-[2-dimethylaminoethyloxy(oxo)methyl]phenyl]methyl]-2-ethoxy-5-benzimidazolecarboxylic acid IUPAC Name: 3-[[4-(2-dimethylaminoethyloxycarbonyl)phenyl]methyl]-2-ethoxybenzimidazole-5-carboxylic acid Traditional Name: 3-[4-(2-dimethylaminoethyloxycarbonyl)benzyl]-2-ethoxy-benzimidazole-5-carboxylic acid Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC2=C(N1CC3=CC=C(C=C3)C(=O)OCCN(C)C)C=C(C=C2)C(=O)O

Isomeric SMILES

CCOC1=NC2=C(N1CC3=CC=C(C=C3)C(=O)OCCN(C)C)C=C(C=C2)C(=O)O

InChI

InChI=1S/C22H25N3O5/c1-4-29-22-23-18-10-9-17(20(26)27)13-19(18)25(22)14-15-5-7-16(8-6-15)21(28)30-12-11-24(2)3/h5-10,13H,4,11-12,14H2,1-3H3,(H,26,27)