tert-butyl (3R)-3-[[(2-azanyl-5-bromanyl-phenyl)carbonylamino]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl (3R)-3-[[(2-azanyl-5-bromanyl-phenyl)carbonylamino]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl (3R)-3-[[(2-amino-5-bromo-benzoyl)amino]methyl]piperidine-1-carboxylate CAS Name: (3R)-3-[[[(2-amino-5-bromophenyl)-oxomethyl]amino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3R)-3-[[(2-amino-5-bromobenzoyl)amino]methyl]piperidine-1-carboxylate Traditional Name: (3R)-3-[[(2-amino-5-bromo-benzoyl)amino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C18H26BrN3O3 MolecularWeight: 412.32134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)CNC(=O)C2=C(C=CC(=C2)Br)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@@H](C1)CNC(=O)C2=C(C=CC(=C2)Br)N

InChI

InChI=1S/C18H26BrN3O3/c1-18(2,3)25-17(24)22-8-4-5-12(11-22)10-21-16(23)14-9-13(19)6-7-15(14)20/h6-7,9,12H,4-5,8,10-11,20H2,1-3H3,(H,21,23)/t12-/m1/s1