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

Systemtic Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]benzoic acid Openeye Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]benzoic acid CAS Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyrimidinyl]benzoic acid IUPAC Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]benzoic acid Traditional Name: 4-[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=C(C=C4)C(=O)O

Isomeric SMILES

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

InChI

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