(2R,3S)-2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxidanylidene-piperidine-3-carboxylate

Systemtic Name: (2R,3S)-2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxidanylidene-piperidine-3-carboxylate Openeye Name: (2R,3S)-2-(3,4-dimethoxyphenyl)-6-oxo-1-(p-tolyl)piperidine-3-carboxylate CAS Name: (2R,3S)-2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxo-3-piperidinecarboxylate IUPAC Name: (2R,3S)-2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxylate Traditional Name: (2R,3S)-2-(3,4-dimethoxyphenyl)-6-keto-1-(p-tolyl)nipecotate Formula: C21H22NO5- MolecularWeight: 368.40308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(C(CCC2=O)C(=O)[O-])C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)N2[C@H]([C@H](CCC2=O)C(=O)[O-])C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H23NO5/c1-13-4-7-15(8-5-13)22-19(23)11-9-16(21(24)25)20(22)14-6-10-17(26-2)18(12-14)27-3/h4-8,10,12,16,20H,9,11H2,1-3H3,(H,24,25)/p-1/t16-,20-/m0/s1