4-[3-tert-butyl-5-[(5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl)methylideneamino]pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[3-tert-butyl-5-[(5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl)methylideneamino]pyrazol-1-yl]benzoic acid Openeye Name: 4-[3-tert-butyl-5-[(5,5-dimethyl-3-oxo-cyclohexen-1-yl)methyleneamino]pyrazol-1-yl]benzoic acid CAS Name: 4-[3-tert-butyl-5-[(5,5-dimethyl-3-oxo-1-cyclohexenyl)methylideneamino]-1-pyrazolyl]benzoic acid IUPAC Name: 4-[3-tert-butyl-5-[(5,5-dimethyl-3-oxocyclohexen-1-yl)methylideneamino]pyrazol-1-yl]benzoic acid Traditional Name: 4-[3-tert-butyl-5-[(3-keto-5,5-dimethyl-cyclohexen-1-yl)methyleneamino]pyrazol-1-yl]benzoic acid Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(=O)C1)C=NC2=CC(=NN2C3=CC=C(C=C3)C(=O)O)C(C)(C)C)C

Isomeric SMILES

CC1(CC(=CC(=O)C1)C=NC2=CC(=NN2C3=CC=C(C=C3)C(=O)O)C(C)(C)C)C

InChI

InChI=1S/C23H27N3O3/c1-22(2,3)19-11-20(24-14-15-10-18(27)13-23(4,5)12-15)26(25-19)17-8-6-16(7-9-17)21(28)29/h6-11,14H,12-13H2,1-5H3,(H,28,29)