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

Systemtic Name: (2-cyanophenyl)methyl (2R,3S)-1-butyl-2-(4-methoxyphenyl)-6-oxidanylidene-piperidine-3-carboxylate Openeye Name: (2-cyanophenyl)methyl (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 (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl (2R,3S)-1-butyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate Traditional Name: (2R,3S)-1-butyl-6-keto-2-(4-methoxyphenyl)nipecotic acid (2-cyanobenzyl) ester Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(CCC1=O)C(=O)OCC2=CC=CC=C2C#N)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCN1[C@H]([C@H](CCC1=O)C(=O)OCC2=CC=CC=C2C#N)C3=CC=C(C=C3)OC

InChI

InChI=1S/C25H28N2O4/c1-3-4-15-27-23(28)14-13-22(24(27)18-9-11-21(30-2)12-10-18)25(29)31-17-20-8-6-5-7-19(20)16-26/h5-12,22,24H,3-4,13-15,17H2,1-2H3/t22-,24-/m0/s1