2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)phenyl]-3H-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)phenyl]-3H-benzimidazole-5-carboxylic acid Openeye Name: 2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)phenyl]-3H-benzimidazole-5-carboxylic acid CAS Name: 2-[4-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]phenyl]-3H-benzimidazole-5-carboxylic acid IUPAC Name: 2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)phenyl]-3H-benzimidazole-5-carboxylic acid Traditional Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-carbonyl)phenyl]-3H-benzimidazole-5-carboxylic acid Formula: C23H16N2O5 MolecularWeight: 400.38354

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)C3=CC=C(C=C3)C4=NC5=C(N4)C=C(C=C5)C(=O)O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)C3=CC=C(C=C3)C4=NC5=C(N4)C=C(C=C5)C(=O)O

InChI

InChI=1S/C23H16N2O5/c26-21(15-6-8-19-20(12-15)30-10-9-29-19)13-1-3-14(4-2-13)22-24-17-7-5-16(23(27)28)11-18(17)25-22/h1-8,11-12H,9-10H2,(H,24,25)(H,27,28)