(3S)-1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl]piperidine-3-carboxylic acid

Systemtic Name: (3S)-1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl]piperidine-3-carboxylic acid Openeye Name: (3S)-1-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperidine-3-carboxylic acid CAS Name: (3S)-1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperidine-3-carboxylic acid Traditional Name: (3S)-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]nipecotic acid Formula: C15H17NO5 MolecularWeight: 291.29918

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2COC3=CC=CC=C3O2)C(=O)O

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)[C@H]2COC3=CC=CC=C3O2)C(=O)O

InChI

InChI=1S/C15H17NO5/c17-14(16-7-3-4-10(8-16)15(18)19)13-9-20-11-5-1-2-6-12(11)21-13/h1-2,5-6,10,13H,3-4,7-9H2,(H,18,19)/t10-,13+/m0/s1