[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl] (2R,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxidanylidene-piperidine-3-carboxylate

Systemtic Name: [(2S)-1-azanyl-1-oxidanylidene-propan-2-yl] (2R,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxidanylidene-piperidine-3-carboxylate Openeye Name: [(1S)-2-amino-1-methyl-2-oxo-ethyl] (2R,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxo-piperidine-3-carboxylate CAS Name: (2R,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxo-3-piperidinecarboxylic acid [(2S)-1-amino-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-amino-1-oxopropan-2-yl] (2R,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate Traditional Name: (2R,3S)-1-butyl-6-keto-2-(2-methoxyphenyl)nipecotic acid [(1S)-2-amino-2-keto-1-methyl-ethyl] ester Formula: C20H28N2O5 MolecularWeight: 376.44672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(CCC1=O)C(=O)OC(C)C(=O)N)C2=CC=CC=C2OC

Isomeric SMILES

CCCCN1[C@H]([C@H](CCC1=O)C(=O)O[C@@H](C)C(=O)N)C2=CC=CC=C2OC

InChI

InChI=1S/C20H28N2O5/c1-4-5-12-22-17(23)11-10-15(20(25)27-13(2)19(21)24)18(22)14-8-6-7-9-16(14)26-3/h6-9,13,15,18H,4-5,10-12H2,1-3H3,(H2,21,24)/t13-,15-,18-/m0/s1