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

Systemtic Name: 4-[(5Z)-5-[3-(2-methylpropyl)-2-propan-2-yl-1H-pyrazol-5-ylidene]pyrrol-2-yl]benzoic acid Openeye Name: 4-[(5Z)-5-(3-isobutyl-2-isopropyl-1H-pyrazol-5-ylidene)pyrrol-2-yl]benzoic acid CAS Name: 4-[(5Z)-5-[3-(2-methylpropyl)-2-propan-2-yl-1H-pyrazol-5-ylidene]-2-pyrrolyl]benzoic acid IUPAC Name: 4-[(5Z)-5-[3-(2-methylpropyl)-2-propan-2-yl-1H-pyrazol-5-ylidene]pyrrol-2-yl]benzoic acid Traditional Name: 4-[(5Z)-5-(5-isobutyl-1-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)CC1=CC(=C2C=CC(=N2)C3=CC=C(C=C3)C(=O)O)NN1C(C)C

Isomeric SMILES

CC(C)CC1=C/C(=C/2\C=CC(=N2)C3=CC=C(C=C3)C(=O)O)/NN1C(C)C

InChI

InChI=1S/C21H25N3O2/c1-13(2)11-17-12-20(23-24(17)14(3)4)19-10-9-18(22-19)15-5-7-16(8-6-15)21(25)26/h5-10,12-14,23H,11H2,1-4H3,(H,25,26)/b20-19-