2-[2-(1,3,5-triphenylpyrazol-4-yl)ethanoyloxy]benzoic acid

Systemtic Name: 2-[2-(1,3,5-triphenylpyrazol-4-yl)ethanoyloxy]benzoic acid Openeye Name: 2-[2-(1,3,5-triphenylpyrazol-4-yl)acetyl]oxybenzoic acid CAS Name: 2-[1-oxo-2-(1,3,5-triphenyl-4-pyrazolyl)ethoxy]benzoic acid IUPAC Name: 2-[2-(1,3,5-triphenylpyrazol-4-yl)acetyl]oxybenzoic acid Traditional Name: 2-[2-(1,3,5-triphenylpyrazol-4-yl)acetyl]oxybenzoic acid Formula: C30H22N2O4 MolecularWeight: 474.50668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=NN2C3=CC=CC=C3)C4=CC=CC=C4)CC(=O)OC5=CC=CC=C5C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=NN2C3=CC=CC=C3)C4=CC=CC=C4)CC(=O)OC5=CC=CC=C5C(=O)O

InChI

InChI=1S/C30H22N2O4/c33-27(36-26-19-11-10-18-24(26)30(34)35)20-25-28(21-12-4-1-5-13-21)31-32(23-16-8-3-9-17-23)29(25)22-14-6-2-7-15-22/h1-19H,20H2,(H,34,35)