tert-butyl 4-[1H-indazol-5-yl(oxan-2-yl)amino]benzoate

Systemtic Name: tert-butyl 4-[1H-indazol-5-yl(oxan-2-yl)amino]benzoate Openeye Name: tert-butyl 4-[1H-indazol-5-yl(tetrahydropyran-2-yl)amino]benzoate CAS Name: 4-[1H-indazol-5-yl(2-oxanyl)amino]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1H-indazol-5-yl(oxan-2-yl)amino]benzoate Traditional Name: 4-[1H-indazol-5-yl(tetrahydropyran-2-yl)amino]benzoic acid tert-butyl ester Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(C=C1)N(C2CCCCO2)C3=CC4=C(C=C3)NN=C4

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)N(C2CCCCO2)C3=CC4=C(C=C3)NN=C4

InChI

InChI=1S/C23H27N3O3/c1-23(2,3)29-22(27)16-7-9-18(10-8-16)26(21-6-4-5-13-28-21)19-11-12-20-17(14-19)15-24-25-20/h7-12,14-15,21H,4-6,13H2,1-3H3,(H,24,25)