4-[(4E)-4-[(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazolidin-1-yl]benzoic acid

Systemtic Name: 4-[(4E)-4-[(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazolidin-1-yl]benzoic acid Openeye Name: 4-[(4E)-4-[(4-benzyloxy-3-bromo-5-methoxy-phenyl)methylene]-3-methyl-5-oxo-pyrazolidin-1-yl]benzoic acid CAS Name: 4-[(4E)-4-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolidinyl]benzoic acid IUPAC Name: 4-[(4E)-4-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylidene]-3-methyl-5-oxopyrazolidin-1-yl]benzoic acid Traditional Name: 4-[(4E)-4-(4-benzoxy-3-bromo-5-methoxy-benzylidene)-5-keto-3-methyl-pyrazolidin-1-yl]benzoic acid Formula: C26H23BrN2O5 MolecularWeight: 523.37522

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=CC2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3)OC)C(=O)N(N1)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1/C(=C\C2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3)OC)/C(=O)N(N1)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C26H23BrN2O5/c1-16-21(25(30)29(28-16)20-10-8-19(9-11-20)26(31)32)12-18-13-22(27)24(23(14-18)33-2)34-15-17-6-4-3-5-7-17/h3-14,16,28H,15H2,1-2H3,(H,31,32)/b21-12+