1-[2-(5-chloranyl-6-methyl-1-benzofuran-3-yl)ethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-(5-chloranyl-6-methyl-1-benzofuran-3-yl)ethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(5-chloro-6-methyl-benzofuran-3-yl)acetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-(5-chloro-6-methyl-3-benzofuranyl)-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-(5-chloro-6-methyl-benzofuran-3-yl)acetyl]isonipecotic acid Formula: C17H18ClNO4 MolecularWeight: 335.78212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)OC=C2CC(=O)N3CCC(CC3)C(=O)O)Cl

Isomeric SMILES

CC1=C(C=C2C(=C1)OC=C2CC(=O)N3CCC(CC3)C(=O)O)Cl

InChI

InChI=1S/C17H18ClNO4/c1-10-6-15-13(8-14(10)18)12(9-23-15)7-16(20)19-4-2-11(3-5-19)17(21)22/h6,8-9,11H,2-5,7H2,1H3,(H,21,22)