5-[(Z)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]-2-phenylmethoxy-benzoic acid

Systemtic Name: 5-[(Z)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]-2-phenylmethoxy-benzoic acid Openeye Name: 2-benzyloxy-5-[(Z)-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]benzoic acid CAS Name: 5-[(Z)-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]-2-phenylmethoxybenzoic acid IUPAC Name: 5-[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]-2-phenylmethoxybenzoic acid Traditional Name: 2-benzoxy-5-[(Z)-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]benzoic acid Formula: C25H20N2O4 MolecularWeight: 412.4373

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)OCC3=CC=CC=C3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC(=C(C=C2)OCC3=CC=CC=C3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C25H20N2O4/c1-17-21(24(28)27(26-17)20-10-6-3-7-11-20)14-19-12-13-23(22(15-19)25(29)30)31-16-18-8-4-2-5-9-18/h2-15H,16H2,1H3,(H,29,30)/b21-14-