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

Systemtic Name: 4-[(5E)-5-[4-methyl-3-(2-methylpropyl)-2-propan-2-yl-1H-pyrazol-5-ylidene]pyrrol-2-yl]benzoic acid Openeye Name: 4-[(5E)-5-(3-isobutyl-2-isopropyl-4-methyl-1H-pyrazol-5-ylidene)pyrrol-2-yl]benzoic acid CAS Name: 4-[(5E)-5-[4-methyl-3-(2-methylpropyl)-2-propan-2-yl-1H-pyrazol-5-ylidene]-2-pyrrolyl]benzoic acid IUPAC Name: 4-[(5E)-5-[4-methyl-3-(2-methylpropyl)-2-propan-2-yl-1H-pyrazol-5-ylidene]pyrrol-2-yl]benzoic acid Traditional Name: 4-[(5E)-5-(5-isobutyl-1-isopropyl-4-methyl-3-pyrazolin-3-ylidene)pyrrol-2-yl]benzoic acid Formula: C22H27N3O2 MolecularWeight: 365.46868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(NC1=C2C=CC(=N2)C3=CC=C(C=C3)C(=O)O)C(C)C)CC(C)C

Isomeric SMILES

CC\1=C(N(N/C1=C/2\C=CC(=N2)C3=CC=C(C=C3)C(=O)O)C(C)C)CC(C)C

InChI

InChI=1S/C22H27N3O2/c1-13(2)12-20-15(5)21(24-25(20)14(3)4)19-11-10-18(23-19)16-6-8-17(9-7-16)22(26)27/h6-11,13-14,24H,12H2,1-5H3,(H,26,27)/b21-19+