3-[2-(ethoxycarbonylamino)-3H-benzimidazol-5-yl]benzoic acid

Systemtic Name: 3-[2-(ethoxycarbonylamino)-3H-benzimidazol-5-yl]benzoic acid Openeye Name: 3-[2-(ethoxycarbonylamino)-3H-benzimidazol-5-yl]benzoic acid CAS Name: 3-[2-(ethoxycarbonylamino)-3H-benzimidazol-5-yl]benzoic acid IUPAC Name: 3-[2-(ethoxycarbonylamino)-3H-benzimidazol-5-yl]benzoic acid Traditional Name: 3-[2-(carbethoxyamino)-3H-benzimidazol-5-yl]benzoic acid Formula: C17H15N3O4 MolecularWeight: 325.3187

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=NC2=C(N1)C=C(C=C2)C3=CC(=CC=C3)C(=O)O

Isomeric SMILES

CCOC(=O)NC1=NC2=C(N1)C=C(C=C2)C3=CC(=CC=C3)C(=O)O

InChI

InChI=1S/C17H15N3O4/c1-2-24-17(23)20-16-18-13-7-6-11(9-14(13)19-16)10-4-3-5-12(8-10)15(21)22/h3-9H,2H2,1H3,(H,21,22)(H2,18,19,20,23)