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

Systemtic Name: ethyl 5-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-phenyl-4-quinolin-2-yl-pyrazole-3-carboxylate Openeye Name: ethyl 5-tert-butoxycarbonyloxy-1-phenyl-4-(2-quinolyl)pyrazole-3-carboxylate CAS Name: 5-[(2-methylpropan-2-yl)oxy-oxomethoxy]-1-phenyl-4-(2-quinolinyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-phenyl-4-quinolin-2-ylpyrazole-3-carboxylate Traditional Name: 5-tert-butoxycarbonyloxy-1-phenyl-4-(2-quinolyl)pyrazole-3-carboxylic acid ethyl ester Formula: C26H25N3O5 MolecularWeight: 459.4938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1C2=NC3=CC=CC=C3C=C2)OC(=O)OC(C)(C)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1C2=NC3=CC=CC=C3C=C2)OC(=O)OC(C)(C)C)C4=CC=CC=C4

InChI

InChI=1S/C26H25N3O5/c1-5-32-24(30)22-21(20-16-15-17-11-9-10-14-19(17)27-20)23(33-25(31)34-26(2,3)4)29(28-22)18-12-7-6-8-13-18/h6-16H,5H2,1-4H3