(3-phenoxyphenyl)methyl (2S)-1-(2,2-dimethylpropylcarbamoyl)piperidine-2-carboxylate

Systemtic Name: (3-phenoxyphenyl)methyl (2S)-1-(2,2-dimethylpropylcarbamoyl)piperidine-2-carboxylate Openeye Name: (3-phenoxyphenyl)methyl (2S)-1-(2,2-dimethylpropylcarbamoyl)piperidine-2-carboxylate CAS Name: (2S)-1-[(2,2-dimethylpropylamino)-oxomethyl]-2-piperidinecarboxylic acid (3-phenoxyphenyl)methyl ester IUPAC Name: (3-phenoxyphenyl)methyl (2S)-1-(2,2-dimethylpropylcarbamoyl)piperidine-2-carboxylate Traditional Name: (2S)-1-(neopentylcarbamoyl)pipecolinic acid (3-phenoxybenzyl) ester Formula: C25H32N2O4 MolecularWeight: 424.53258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC(=O)N1CCCCC1C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)CNC(=O)N1CCCC[C@H]1C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C25H32N2O4/c1-25(2,3)18-26-24(29)27-15-8-7-14-22(27)23(28)30-17-19-10-9-13-21(16-19)31-20-11-5-4-6-12-20/h4-6,9-13,16,22H,7-8,14-15,17-18H2,1-3H3,(H,26,29)/t22-/m0/s1