2-(1-benzofuran-2-yl)-1-(1,3-oxazol-4-ylcarbonyl)piperidine-3-carboxylic acid

Systemtic Name: 2-(1-benzofuran-2-yl)-1-(1,3-oxazol-4-ylcarbonyl)piperidine-3-carboxylic acid Openeye Name: 2-(benzofuran-2-yl)-1-(oxazole-4-carbonyl)piperidine-3-carboxylic acid CAS Name: 2-(2-benzofuranyl)-1-[4-oxazolyl(oxo)methyl]-3-piperidinecarboxylic acid IUPAC Name: 2-(1-benzofuran-2-yl)-1-(1,3-oxazole-4-carbonyl)piperidine-3-carboxylic acid Traditional Name: 2-(benzofuran-2-yl)-1-(oxazole-4-carbonyl)nipecotic acid Formula: C18H16N2O5 MolecularWeight: 340.33004

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(N(C1)C(=O)C2=COC=N2)C3=CC4=CC=CC=C4O3)C(=O)O

Isomeric SMILES

C1CC(C(N(C1)C(=O)C2=COC=N2)C3=CC4=CC=CC=C4O3)C(=O)O

InChI

InChI=1S/C18H16N2O5/c21-17(13-9-24-10-19-13)20-7-3-5-12(18(22)23)16(20)15-8-11-4-1-2-6-14(11)25-15/h1-2,4,6,8-10,12,16H,3,5,7H2,(H,22,23)