5-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-phenyl-4-quinolin-2-yl-pyrazole-3-carboxylic acid

Systemtic Name: 5-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-phenyl-4-quinolin-2-yl-pyrazole-3-carboxylic acid Openeye Name: 5-tert-butoxycarbonyloxy-1-phenyl-4-(2-quinolyl)pyrazole-3-carboxylic acid CAS Name: 5-[(2-methylpropan-2-yl)oxy-oxomethoxy]-1-phenyl-4-(2-quinolinyl)-3-pyrazolecarboxylic acid IUPAC Name: 5-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-phenyl-4-quinolin-2-ylpyrazole-3-carboxylic acid Traditional Name: 5-tert-butoxycarbonyloxy-1-phenyl-4-(2-quinolyl)pyrazole-3-carboxylic acid Formula: C24H21N3O5 MolecularWeight: 431.44064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)OC1=C(C(=NN1C2=CC=CC=C2)C(=O)O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)(C)OC(=O)OC1=C(C(=NN1C2=CC=CC=C2)C(=O)O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C24H21N3O5/c1-24(2,3)32-23(30)31-21-19(18-14-13-15-9-7-8-12-17(15)25-18)20(22(28)29)26-27(21)16-10-5-4-6-11-16/h4-14H,1-3H3,(H,28,29)