tert-butyl 4-[[5-chloranyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-oxidanyl-methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[5-chloranyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-oxidanyl-methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[2-(tert-butoxycarbonylamino)-5-chloro-phenyl]-hydroxy-methyl]piperidine-1-carboxylate CAS Name: 4-[[5-chloro-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]-hydroxymethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[5-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-hydroxymethyl]piperidine-1-carboxylate Traditional Name: 4-[[2-(tert-butoxycarbonylamino)-5-chloro-phenyl]-hydroxy-methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H33ClN2O5 MolecularWeight: 440.96082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=C(C=C(C=C1)Cl)C(C2CCN(CC2)C(=O)OC(C)(C)C)O

Isomeric SMILES

CC(C)(C)OC(=O)NC1=C(C=C(C=C1)Cl)C(C2CCN(CC2)C(=O)OC(C)(C)C)O

InChI

InChI=1S/C22H33ClN2O5/c1-21(2,3)29-19(27)24-17-8-7-15(23)13-16(17)18(26)14-9-11-25(12-10-14)20(28)30-22(4,5)6/h7-8,13-14,18,26H,9-12H2,1-6H3,(H,24,27)