[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] (2R,3S)-1-butyl-2-(4-methoxyphenyl)-6-oxidanylidene-piperidine-3-carboxylate

Systemtic Name: [(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] (2R,3S)-1-butyl-2-(4-methoxyphenyl)-6-oxidanylidene-piperidine-3-carboxylate Openeye Name: [(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl] (2R,3S)-1-butyl-2-(4-methoxyphenyl)-6-oxo-piperidine-3-carboxylate CAS Name: (2R,3S)-1-butyl-2-(4-methoxyphenyl)-6-oxo-3-piperidinecarboxylic acid [(2S)-1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl] (2R,3S)-1-butyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate Traditional Name: (2R,3S)-1-butyl-6-keto-2-(4-methoxyphenyl)nipecotic acid [(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H32N2O5 MolecularWeight: 404.49988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(CCC1=O)C(=O)OC(C)C(=O)NCC)C2=CC=C(C=C2)OC

Isomeric SMILES

CCCCN1[C@H]([C@H](CCC1=O)C(=O)O[C@@H](C)C(=O)NCC)C2=CC=C(C=C2)OC

InChI

InChI=1S/C22H32N2O5/c1-5-7-14-24-19(25)13-12-18(22(27)29-15(3)21(26)23-6-2)20(24)16-8-10-17(28-4)11-9-16/h8-11,15,18,20H,5-7,12-14H2,1-4H3,(H,23,26)/t15-,18-,20-/m0/s1