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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(CCC1=O)C(=O)OC2=CC=C(C=C2)C(=O)C)C3=CC=CC=C3OC

Isomeric SMILES

CCCCN1[C@H]([C@H](CCC1=O)C(=O)OC2=CC=C(C=C2)C(=O)C)C3=CC=CC=C3OC

InChI

InChI=1S/C25H29NO5/c1-4-5-16-26-23(28)15-14-21(24(26)20-8-6-7-9-22(20)30-3)25(29)31-19-12-10-18(11-13-19)17(2)27/h6-13,21,24H,4-5,14-16H2,1-3H3/t21-,24-/m0/s1