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

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (2R,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxidanylidene-piperidine-3-carboxylate Openeye Name: [2-oxo-2-(prop-2-ynylamino)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-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (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-keto-2-(propargylamino)ethyl] ester Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(CCC1=O)C(=O)OCC(=O)NCC#C)C2=CC=CC=C2OC

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O5/c1-4-6-14-24-20(26)12-11-17(22(27)29-15-19(25)23-13-5-2)21(24)16-9-7-8-10-18(16)28-3/h2,7-10,17,21H,4,6,11-15H2,1,3H3,(H,23,25)/t17-,21-/m0/s1