(2S,3R)-2-(3-methoxyphenyl)-6-oxidanylidene-1-propyl-piperidine-3-carboxylic acid

Systemtic Name: (2S,3R)-2-(3-methoxyphenyl)-6-oxidanylidene-1-propyl-piperidine-3-carboxylic acid Openeye Name: (2S,3R)-2-(3-methoxyphenyl)-6-oxo-1-propyl-piperidine-3-carboxylic acid CAS Name: (2S,3R)-2-(3-methoxyphenyl)-6-oxo-1-propyl-3-piperidinecarboxylic acid IUPAC Name: (2S,3R)-2-(3-methoxyphenyl)-6-oxo-1-propylpiperidine-3-carboxylic acid Traditional Name: (2S,3R)-6-keto-2-(3-methoxyphenyl)-1-propyl-nipecotic acid Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(C(CCC1=O)C(=O)O)C2=CC(=CC=C2)OC

Isomeric SMILES

CCCN1[C@@H]([C@@H](CCC1=O)C(=O)O)C2=CC(=CC=C2)OC

InChI

InChI=1S/C16H21NO4/c1-3-9-17-14(18)8-7-13(16(19)20)15(17)11-5-4-6-12(10-11)21-2/h4-6,10,13,15H,3,7-9H2,1-2H3,(H,19,20)/t13-,15-/m1/s1