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

Systemtic Name: 4-[(5E)-5-(2-tert-butyl-3-propan-2-yl-1H-pyrazol-5-ylidene)pyrrol-2-yl]benzoic acid Openeye Name: 4-[(5E)-5-(2-tert-butyl-3-isopropyl-1H-pyrazol-5-ylidene)pyrrol-2-yl]benzoic acid CAS Name: 4-[(5E)-5-(2-tert-butyl-3-propan-2-yl-1H-pyrazol-5-ylidene)-2-pyrrolyl]benzoic acid IUPAC Name: 4-[(5E)-5-(2-tert-butyl-3-propan-2-yl-1H-pyrazol-5-ylidene)pyrrol-2-yl]benzoic acid Traditional Name: 4-[(5E)-5-(1-tert-butyl-5-isopropyl-3-pyrazolin-3-ylidene)pyrrol-2-yl]benzoic acid Formula: C21H25N3O2 MolecularWeight: 351.4421

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C2C=CC(=N2)C3=CC=C(C=C3)C(=O)O)NN1C(C)(C)C

Isomeric SMILES

CC(C)C1=C/C(=C\2/C=CC(=N2)C3=CC=C(C=C3)C(=O)O)/NN1C(C)(C)C

InChI

InChI=1S/C21H25N3O2/c1-13(2)19-12-18(23-24(19)21(3,4)5)17-11-10-16(22-17)14-6-8-15(9-7-14)20(25)26/h6-13,23H,1-5H3,(H,25,26)/b18-17+