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

Systemtic Name: 3-[(4Z)-4-[(3-ethoxy-4-phenylmethoxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 3-[(4Z)-4-[(4-benzyloxy-3-ethoxy-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 3-[(4Z)-4-[(3-ethoxy-4-phenylmethoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 3-[(4Z)-4-[(3-ethoxy-4-phenylmethoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 3-[(4Z)-4-(4-benzoxy-3-ethoxy-benzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C27H24N2O5 MolecularWeight: 456.48986

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)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C\2/C(=NN(C2=O)C3=CC=CC(=C3)C(=O)O)C)OCC4=CC=CC=C4

InChI

InChI=1S/C27H24N2O5/c1-3-33-25-15-20(12-13-24(25)34-17-19-8-5-4-6-9-19)14-23-18(2)28-29(26(23)30)22-11-7-10-21(16-22)27(31)32/h4-16H,3,17H2,1-2H3,(H,31,32)/b23-14-