2-[(5-methoxy-2-pyrazol-1-yl-phenoxy)methyl]benzoic acid

Systemtic Name: 2-[(5-methoxy-2-pyrazol-1-yl-phenoxy)methyl]benzoic acid Openeye Name: 2-[(5-methoxy-2-pyrazol-1-yl-phenoxy)methyl]benzoic acid CAS Name: 2-[[5-methoxy-2-(1-pyrazolyl)phenoxy]methyl]benzoic acid IUPAC Name: 2-[(5-methoxy-2-pyrazol-1-ylphenoxy)methyl]benzoic acid Traditional Name: 2-[(5-methoxy-2-pyrazol-1-yl-phenoxy)methyl]benzoic acid Formula: C18H16N2O4 MolecularWeight: 324.33064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2C=CC=N2)OCC3=CC=CC=C3C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)N2C=CC=N2)OCC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C18H16N2O4/c1-23-14-7-8-16(20-10-4-9-19-20)17(11-14)24-12-13-5-2-3-6-15(13)18(21)22/h2-11H,12H2,1H3,(H,21,22)