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

Systemtic Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)phenyl]-3H-benzimidazole-5-carboxylic acid Openeye Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)phenyl]-3H-benzimidazole-5-carboxylic acid CAS Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)phenyl]-3H-benzimidazole-5-carboxylic acid IUPAC Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)phenyl]-3H-benzimidazole-5-carboxylic acid Traditional Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)phenyl]-3H-benzimidazole-5-carboxylic acid Formula: C23H18N2O4 MolecularWeight: 386.40002

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)CC3=CC=C(C=C3)C4=NC5=C(N4)C=C(C=C5)C(=O)O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)CC3=CC=C(C=C3)C4=NC5=C(N4)C=C(C=C5)C(=O)O

InChI

InChI=1S/C23H18N2O4/c26-23(27)17-6-7-18-19(13-17)25-22(24-18)16-4-1-14(2-5-16)11-15-3-8-20-21(12-15)29-10-9-28-20/h1-8,12-13H,9-11H2,(H,24,25)(H,26,27)