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

Systemtic Name: 1-[2-(5-ethyl-1-benzofuran-3-yl)ethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(5-ethylbenzofuran-3-yl)acetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-(5-ethyl-3-benzofuranyl)-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(5-ethyl-1-benzofuran-3-yl)acetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-(5-ethylbenzofuran-3-yl)acetyl]isonipecotic acid Formula: C18H21NO4 MolecularWeight: 315.36364

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC=C2CC(=O)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCC1=CC2=C(C=C1)OC=C2CC(=O)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C18H21NO4/c1-2-12-3-4-16-15(9-12)14(11-23-16)10-17(20)19-7-5-13(6-8-19)18(21)22/h3-4,9,11,13H,2,5-8,10H2,1H3,(H,21,22)