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

Systemtic Name: 1-[2-(6-methyl-1-benzofuran-3-yl)ethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(6-methylbenzofuran-3-yl)acetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-(6-methyl-3-benzofuranyl)-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(6-methyl-1-benzofuran-3-yl)acetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-(6-methylbenzofuran-3-yl)acetyl]isonipecotic acid Formula: C17H19NO4 MolecularWeight: 301.33706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CO2)CC(=O)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CO2)CC(=O)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C17H19NO4/c1-11-2-3-14-13(10-22-15(14)8-11)9-16(19)18-6-4-12(5-7-18)17(20)21/h2-3,8,10,12H,4-7,9H2,1H3,(H,20,21)