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

Systemtic Name: cyanomethyl (2R,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxidanylidene-piperidine-3-carboxylate Openeye Name: cyanomethyl (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 cyanomethyl ester IUPAC Name: cyanomethyl (2R,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate Traditional Name: (2R,3S)-1-butyl-6-keto-2-(2-methoxyphenyl)nipecotic acid cyanomethyl ester Formula: C19H24N2O4 MolecularWeight: 344.40486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O4/c1-3-4-12-21-17(22)10-9-15(19(23)25-13-11-20)18(21)14-7-5-6-8-16(14)24-2/h5-8,15,18H,3-4,9-10,12-13H2,1-2H3/t15-,18-/m0/s1