6-(1,3-benzodioxol-4-yl)-4-(4-fluorophenyl)-2-propan-2-yl-pyridine-3-carboxylic acid

Systemtic Name: 6-(1,3-benzodioxol-4-yl)-4-(4-fluorophenyl)-2-propan-2-yl-pyridine-3-carboxylic acid Openeye Name: 6-(1,3-benzodioxol-4-yl)-4-(4-fluorophenyl)-2-isopropyl-pyridine-3-carboxylic acid CAS Name: 6-(1,3-benzodioxol-4-yl)-4-(4-fluorophenyl)-2-propan-2-yl-3-pyridinecarboxylic acid IUPAC Name: 6-(1,3-benzodioxol-4-yl)-4-(4-fluorophenyl)-2-propan-2-ylpyridine-3-carboxylic acid Traditional Name: 6-(1,3-benzodioxol-4-yl)-4-(4-fluorophenyl)-2-isopropyl-nicotinic acid Formula: C22H18FNO4 MolecularWeight: 379.381023

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC(=N1)C2=C3C(=CC=C2)OCO3)C4=CC=C(C=C4)F)C(=O)O

Isomeric SMILES

CC(C)C1=C(C(=CC(=N1)C2=C3C(=CC=C2)OCO3)C4=CC=C(C=C4)F)C(=O)O

InChI

InChI=1S/C22H18FNO4/c1-12(2)20-19(22(25)26)16(13-6-8-14(23)9-7-13)10-17(24-20)15-4-3-5-18-21(15)28-11-27-18/h3-10,12H,11H2,1-2H3,(H,25,26)