3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]benzoic acid

Systemtic Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]benzoic acid Openeye Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]benzoic acid CAS Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyrimidinyl]benzoic acid IUPAC Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]benzoic acid Traditional Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]benzoic acid Formula: C19H14N2O4 MolecularWeight: 334.32546

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=NC(=NC=C3)C4=CC(=CC=C4)C(=O)O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=NC(=NC=C3)C4=CC(=CC=C4)C(=O)O

InChI

InChI=1S/C19H14N2O4/c22-19(23)14-3-1-2-13(10-14)18-20-7-6-15(21-18)12-4-5-16-17(11-12)25-9-8-24-16/h1-7,10-11H,8-9H2,(H,22,23)