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

Systemtic Name: cyanomethyl (2R,3S)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxidanylidene-piperidine-3-carboxylate Openeye Name: cyanomethyl (2R,3S)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxo-piperidine-3-carboxylate CAS Name: (2R,3S)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxo-3-piperidinecarboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl (2R,3S)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate Traditional Name: (2R,3S)-6-keto-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)nipecotic acid cyanomethyl ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(C(CCC2=O)C(=O)OCC#N)C3=CC=CC=C3OC

Isomeric SMILES

COC1=CC=C(C=C1)N2[C@H]([C@H](CCC2=O)C(=O)OCC#N)C3=CC=CC=C3OC

InChI

InChI=1S/C22H22N2O5/c1-27-16-9-7-15(8-10-16)24-20(25)12-11-18(22(26)29-14-13-23)21(24)17-5-3-4-6-19(17)28-2/h3-10,18,21H,11-12,14H2,1-2H3/t18-,21-/m0/s1