5-(phenoxymethyl)-1-(phenylmethyl)pyrazole-4-carboxylic acid

Systemtic Name: 5-(phenoxymethyl)-1-(phenylmethyl)pyrazole-4-carboxylic acid Openeye Name: 1-benzyl-5-(phenoxymethyl)pyrazole-4-carboxylic acid CAS Name: 5-(phenoxymethyl)-1-(phenylmethyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-benzyl-5-(phenoxymethyl)pyrazole-4-carboxylic acid Traditional Name: 1-benzyl-5-(phenoxymethyl)pyrazole-4-carboxylic acid Formula: C18H16N2O3 MolecularWeight: 308.33124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=C(C=N2)C(=O)O)COC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=C(C=N2)C(=O)O)COC3=CC=CC=C3

InChI

InChI=1S/C18H16N2O3/c21-18(22)16-11-19-20(12-14-7-3-1-4-8-14)17(16)13-23-15-9-5-2-6-10-15/h1-11H,12-13H2,(H,21,22)