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

Systemtic Name: (3S)-1-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]carbonyl]piperidine-3-carboxylic acid Openeye Name: (3S)-1-[(2R)-2,3-dihydrobenzofuran-2-carbonyl]piperidine-3-carboxylic acid CAS Name: (3S)-1-[[(2R)-2,3-dihydrobenzofuran-2-yl]-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]piperidine-3-carboxylic acid Traditional Name: (3S)-1-[(2R)-coumaran-2-carbonyl]nipecotic acid Formula: C15H17NO4 MolecularWeight: 275.29978

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2CC3=CC=CC=C3O2)C(=O)O

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)[C@H]2CC3=CC=CC=C3O2)C(=O)O

InChI

InChI=1S/C15H17NO4/c17-14(16-7-3-5-11(9-16)15(18)19)13-8-10-4-1-2-6-12(10)20-13/h1-2,4,6,11,13H,3,5,7-9H2,(H,18,19)/t11-,13+/m0/s1