1-[(5-chloranyl-2,3-dihydro-1-benzofuran-2-yl)carbonyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(5-chloranyl-2,3-dihydro-1-benzofuran-2-yl)carbonyl]piperidine-3-carboxylic acid Openeye Name: 1-(5-chloro-2,3-dihydrobenzofuran-2-carbonyl)piperidine-3-carboxylic acid CAS Name: 1-[(5-chloro-2,3-dihydrobenzofuran-2-yl)-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)piperidine-3-carboxylic acid Traditional Name: 1-(5-chlorocoumaran-2-carbonyl)nipecotic acid Formula: C15H16ClNO4 MolecularWeight: 309.74484

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2CC3=C(O2)C=CC(=C3)Cl)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)C2CC3=C(O2)C=CC(=C3)Cl)C(=O)O

InChI

InChI=1S/C15H16ClNO4/c16-11-3-4-12-10(6-11)7-13(21-12)14(18)17-5-1-2-9(8-17)15(19)20/h3-4,6,9,13H,1-2,5,7-8H2,(H,19,20)