tert-butyl 4-[[[6-(2-chloranylphenoxy)pyrimidin-4-yl]-methyl-amino]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[[6-(2-chloranylphenoxy)pyrimidin-4-yl]-methyl-amino]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[[6-(2-chlorophenoxy)pyrimidin-4-yl]-methyl-amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[[6-(2-chlorophenoxy)-4-pyrimidinyl]-methylamino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[[6-(2-chlorophenoxy)pyrimidin-4-yl]-methylamino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[[6-(2-chlorophenoxy)pyrimidin-4-yl]-methyl-amino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H29ClN4O3 MolecularWeight: 432.94366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CN(C)C2=CC(=NC=N2)OC3=CC=CC=C3Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CN(C)C2=CC(=NC=N2)OC3=CC=CC=C3Cl

InChI

InChI=1S/C22H29ClN4O3/c1-22(2,3)30-21(28)27-11-9-16(10-12-27)14-26(4)19-13-20(25-15-24-19)29-18-8-6-5-7-17(18)23/h5-8,13,15-16H,9-12,14H2,1-4H3