phenacyl (2R,3S)-1-butyl-2-(4-methoxyphenyl)-6-oxidanylidene-piperidine-3-carboxylate

Systemtic Name: phenacyl (2R,3S)-1-butyl-2-(4-methoxyphenyl)-6-oxidanylidene-piperidine-3-carboxylate Openeye Name: phenacyl (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 phenacyl ester IUPAC Name: phenacyl (2R,3S)-1-butyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate Traditional Name: (2R,3S)-1-butyl-6-keto-2-(4-methoxyphenyl)nipecotic acid phenacyl ester Formula: C25H29NO5 MolecularWeight: 423.50146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(CCC1=O)C(=O)OCC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCN1[C@H]([C@H](CCC1=O)C(=O)OCC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C25H29NO5/c1-3-4-16-26-23(28)15-14-21(24(26)19-10-12-20(30-2)13-11-19)25(29)31-17-22(27)18-8-6-5-7-9-18/h5-13,21,24H,3-4,14-17H2,1-2H3/t21-,24-/m0/s1