4-[4-(3a,4-dihydro-1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]benzoic acid

Systemtic Name: 4-[4-(3a,4-dihydro-1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]benzoic acid Openeye Name: 4-[4-(3a,4-dihydro-1,3-benzodioxol-5-yl)-5-(2-pyridyl)-1H-imidazol-2-yl]benzoic acid CAS Name: 4-[4-(3a,4-dihydro-1,3-benzodioxol-5-yl)-5-(2-pyridinyl)-1H-imidazol-2-yl]benzoic acid IUPAC Name: 4-[4-(3a,4-dihydro-1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]benzoic acid Traditional Name: 4-[4-(3a,4-dihydro-1,3-benzodioxol-5-yl)-5-(2-pyridyl)-1H-imidazol-2-yl]benzoic acid Formula: C22H17N3O4 MolecularWeight: 387.38808

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(=CC=C1C3=C(NC(=N3)C4=CC=C(C=C4)C(=O)O)C5=CC=CC=N5)OCO2

Isomeric SMILES

C1C2C(=CC=C1C3=C(NC(=N3)C4=CC=C(C=C4)C(=O)O)C5=CC=CC=N5)OCO2

InChI

InChI=1S/C22H17N3O4/c26-22(27)14-6-4-13(5-7-14)21-24-19(20(25-21)16-3-1-2-10-23-16)15-8-9-17-18(11-15)29-12-28-17/h1-10,18H,11-12H2,(H,24,25)(H,26,27)