3-[(4-ethoxycarbonylphenyl)methyl]benzimidazole-5-carboxylic acid; N-methylmethanamine

Systemtic Name: 3-[(4-ethoxycarbonylphenyl)methyl]benzimidazole-5-carboxylic acid; N-methylmethanamine Openeye Name: 3-[(4-ethoxycarbonylphenyl)methyl]benzimidazole-5-carboxylic acid; N-methylmethanamine CAS Name: 3-[(4-ethoxycarbonylphenyl)methyl]-5-benzimidazolecarboxylic acid; N-methylmethanamine IUPAC Name: 3-[(4-ethoxycarbonylphenyl)methyl]benzimidazole-5-carboxylic acid; N-methylmethanamine Traditional Name: 3-(4-carbethoxybenzyl)benzimidazole-5-carboxylic acid; dimethylamine Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CN2C=NC3=C2C=C(C=C3)C(=O)O.CNC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CN2C=NC3=C2C=C(C=C3)C(=O)O.CNC

InChI

InChI=1S/C18H16N2O4.C2H7N/c1-2-24-18(23)13-5-3-12(4-6-13)10-20-11-19-15-8-7-14(17(21)22)9-16(15)20;1-3-2/h3-9,11H,2,10H2,1H3,(H,21,22);3H,1-2H3