tert-butyl 1-[4-[(2-phenoxypyrimidin-5-yl)carbonylamino]phenyl]piperidine-4-carboxylate

Systemtic Name: tert-butyl 1-[4-[(2-phenoxypyrimidin-5-yl)carbonylamino]phenyl]piperidine-4-carboxylate Openeye Name: tert-butyl 1-[4-[(2-phenoxypyrimidine-5-carbonyl)amino]phenyl]piperidine-4-carboxylate CAS Name: 1-[4-[[oxo-(2-phenoxy-5-pyrimidinyl)methyl]amino]phenyl]-4-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[4-[(2-phenoxypyrimidine-5-carbonyl)amino]phenyl]piperidine-4-carboxylate Traditional Name: 1-[4-[(2-phenoxypyrimidine-5-carbonyl)amino]phenyl]isonipecotic acid tert-butyl ester Formula: C27H30N4O4 MolecularWeight: 474.5515

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CN=C(N=C3)OC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)C1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CN=C(N=C3)OC4=CC=CC=C4

InChI

InChI=1S/C27H30N4O4/c1-27(2,3)35-25(33)19-13-15-31(16-14-19)22-11-9-21(10-12-22)30-24(32)20-17-28-26(29-18-20)34-23-7-5-4-6-8-23/h4-12,17-19H,13-16H2,1-3H3,(H,30,32)