3-[4-[[3-ethoxy-4-(2-oxidanylidene-2-phenylazanyl-ethoxy)phenyl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid

Systemtic Name: 3-[4-[[3-ethoxy-4-(2-oxidanylidene-2-phenylazanyl-ethoxy)phenyl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 3-[4-[[4-(2-anilino-2-oxo-ethoxy)-3-ethoxy-phenyl]methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 3-[4-[[4-(2-anilino-2-oxoethoxy)-3-ethoxyphenyl]methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 3-[4-[[4-(2-anilino-2-oxoethoxy)-3-ethoxyphenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 3-[4-[4-(2-anilino-2-keto-ethoxy)-3-ethoxy-benzylidene]-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C28H25N3O6 MolecularWeight: 499.5146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C2C(=NN(C2=O)C3=CC=CC(=C3)C(=O)O)C)OCC(=O)NC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C2C(=NN(C2=O)C3=CC=CC(=C3)C(=O)O)C)OCC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C28H25N3O6/c1-3-36-25-15-19(12-13-24(25)37-17-26(32)29-21-9-5-4-6-10-21)14-23-18(2)30-31(27(23)33)22-11-7-8-20(16-22)28(34)35/h4-16H,3,17H2,1-2H3,(H,29,32)(H,34,35)