3-bromanyl-5-ethoxy-4-[(1-methylpyrazol-4-yl)methoxy]benzoic acid

Systemtic Name: 3-bromanyl-5-ethoxy-4-[(1-methylpyrazol-4-yl)methoxy]benzoic acid Openeye Name: 3-bromo-5-ethoxy-4-[(1-methylpyrazol-4-yl)methoxy]benzoic acid CAS Name: 3-bromo-5-ethoxy-4-[(1-methyl-4-pyrazolyl)methoxy]benzoic acid IUPAC Name: 3-bromo-5-ethoxy-4-[(1-methylpyrazol-4-yl)methoxy]benzoic acid Traditional Name: 3-bromo-5-ethoxy-4-[(1-methylpyrazol-4-yl)methoxy]benzoic acid Formula: C14H15BrN2O4 MolecularWeight: 355.1839

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=O)O)Br)OCC2=CN(N=C2)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=O)O)Br)OCC2=CN(N=C2)C

InChI

InChI=1S/C14H15BrN2O4/c1-3-20-12-5-10(14(18)19)4-11(15)13(12)21-8-9-6-16-17(2)7-9/h4-7H,3,8H2,1-2H3,(H,18,19)