[2-(2-ethanoylhydrazinyl)-2-oxidanylidene-ethyl] (2R,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxidanylidene-piperidine-3-carboxylate

Systemtic Name: [2-(2-ethanoylhydrazinyl)-2-oxidanylidene-ethyl] (2R,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxidanylidene-piperidine-3-carboxylate Openeye Name: [2-(2-acetylhydrazino)-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 [2-(acetylhydrazo)-2-oxoethyl] ester IUPAC Name: [2-(2-acetylhydrazinyl)-2-oxoethyl] (2R,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate Traditional Name: (2R,3S)-1-butyl-6-keto-2-(2-methoxyphenyl)nipecotic acid [2-(N'-acetylhydrazino)-2-keto-ethyl] ester Formula: C21H29N3O6 MolecularWeight: 419.47146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(CCC1=O)C(=O)OCC(=O)NNC(=O)C)C2=CC=CC=C2OC

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O6/c1-4-5-12-24-19(27)11-10-16(20(24)15-8-6-7-9-17(15)29-3)21(28)30-13-18(26)23-22-14(2)25/h6-9,16,20H,4-5,10-13H2,1-3H3,(H,22,25)(H,23,26)/t16-,20-/m0/s1