(2R,3S)-2-(1,3-benzodioxol-5-yl)-6-oxidanylidene-1-(phenylmethyl)piperidine-3-carboxylic acid

Systemtic Name: (2R,3S)-2-(1,3-benzodioxol-5-yl)-6-oxidanylidene-1-(phenylmethyl)piperidine-3-carboxylic acid Openeye Name: (2R,3S)-2-(1,3-benzodioxol-5-yl)-1-benzyl-6-oxo-piperidine-3-carboxylic acid CAS Name: (2R,3S)-2-(1,3-benzodioxol-5-yl)-6-oxo-1-(phenylmethyl)-3-piperidinecarboxylic acid IUPAC Name: (2R,3S)-2-(1,3-benzodioxol-5-yl)-1-benzyl-6-oxopiperidine-3-carboxylic acid Traditional Name: (2R,3S)-2-(1,3-benzodioxol-5-yl)-1-benzyl-6-keto-nipecotic acid Formula: C20H19NO5 MolecularWeight: 353.36856

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C(C1C(=O)O)C2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4

Isomeric SMILES

C1CC(=O)N([C@H]([C@H]1C(=O)O)C2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4

InChI

InChI=1S/C20H19NO5/c22-18-9-7-15(20(23)24)19(21(18)11-13-4-2-1-3-5-13)14-6-8-16-17(10-14)26-12-25-16/h1-6,8,10,15,19H,7,9,11-12H2,(H,23,24)/t15-,19-/m0/s1