4-phenylbutyl (2S)-1-(2,2-dimethylpropylcarbamoyl)piperidine-2-carboxylate

Systemtic Name: 4-phenylbutyl (2S)-1-(2,2-dimethylpropylcarbamoyl)piperidine-2-carboxylate Openeye Name: 4-phenylbutyl (2S)-1-(2,2-dimethylpropylcarbamoyl)piperidine-2-carboxylate CAS Name: (2S)-1-[(2,2-dimethylpropylamino)-oxomethyl]-2-piperidinecarboxylic acid 4-phenylbutyl ester IUPAC Name: 4-phenylbutyl (2S)-1-(2,2-dimethylpropylcarbamoyl)piperidine-2-carboxylate Traditional Name: (2S)-1-(neopentylcarbamoyl)pipecolinic acid 4-phenylbutyl ester Formula: C22H34N2O3 MolecularWeight: 374.51696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC(=O)N1CCCCC1C(=O)OCCCCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)CNC(=O)N1CCCC[C@H]1C(=O)OCCCCC2=CC=CC=C2

InChI

InChI=1S/C22H34N2O3/c1-22(2,3)17-23-21(26)24-15-9-7-14-19(24)20(25)27-16-10-8-13-18-11-5-4-6-12-18/h4-6,11-12,19H,7-10,13-17H2,1-3H3,(H,23,26)/t19-/m0/s1