4-[(5E)-5-[2-(2,5-dimethylphenyl)-3-propan-2-yl-1H-pyrazol-5-ylidene]pyrrol-2-yl]benzoic acid

Systemtic Name: 4-[(5E)-5-[2-(2,5-dimethylphenyl)-3-propan-2-yl-1H-pyrazol-5-ylidene]pyrrol-2-yl]benzoic acid Openeye Name: 4-[(5E)-5-[2-(2,5-dimethylphenyl)-3-isopropyl-1H-pyrazol-5-ylidene]pyrrol-2-yl]benzoic acid CAS Name: 4-[(5E)-5-[2-(2,5-dimethylphenyl)-3-propan-2-yl-1H-pyrazol-5-ylidene]-2-pyrrolyl]benzoic acid IUPAC Name: 4-[(5E)-5-[2-(2,5-dimethylphenyl)-3-propan-2-yl-1H-pyrazol-5-ylidene]pyrrol-2-yl]benzoic acid Traditional Name: 4-[(5E)-5-[1-(2,5-dimethylphenyl)-5-isopropyl-3-pyrazolin-3-ylidene]pyrrol-2-yl]benzoic acid Formula: C25H25N3O2 MolecularWeight: 399.4849

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=CC(=C3C=CC(=N3)C4=CC=C(C=C4)C(=O)O)N2)C(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=C/C(=C\3/C=CC(=N3)C4=CC=C(C=C4)C(=O)O)/N2)C(C)C

InChI

InChI=1S/C25H25N3O2/c1-15(2)23-14-22(27-28(23)24-13-16(3)5-6-17(24)4)21-12-11-20(26-21)18-7-9-19(10-8-18)25(29)30/h5-15,27H,1-4H3,(H,29,30)/b22-21+