(3R)-1-[(2S)-1-(2,5-dimethoxyphenyl)-1-oxidanylidene-propan-2-yl]piperidine-3-carboxylic acid

Systemtic Name: (3R)-1-[(2S)-1-(2,5-dimethoxyphenyl)-1-oxidanylidene-propan-2-yl]piperidine-3-carboxylic acid Openeye Name: (3R)-1-[(1S)-2-(2,5-dimethoxyphenyl)-1-methyl-2-oxo-ethyl]piperidine-3-carboxylic acid CAS Name: (3R)-1-[(2S)-1-(2,5-dimethoxyphenyl)-1-oxopropan-2-yl]-3-piperidinecarboxylic acid IUPAC Name: (3R)-1-[(2S)-1-(2,5-dimethoxyphenyl)-1-oxopropan-2-yl]piperidine-3-carboxylic acid Traditional Name: (3R)-1-[(1S)-2-(2,5-dimethoxyphenyl)-2-keto-1-methyl-ethyl]nipecotic acid Formula: C17H23NO5 MolecularWeight: 321.36822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=C(C=CC(=C1)OC)OC)N2CCCC(C2)C(=O)O

Isomeric SMILES

C[C@@H](C(=O)C1=C(C=CC(=C1)OC)OC)N2CCC[C@H](C2)C(=O)O

InChI

InChI=1S/C17H23NO5/c1-11(18-8-4-5-12(10-18)17(20)21)16(19)14-9-13(22-2)6-7-15(14)23-3/h6-7,9,11-12H,4-5,8,10H2,1-3H3,(H,20,21)/t11-,12+/m0/s1