2-(3-cyclohexa-1,5-dien-1-yloxy-1-benzofuran-2-yl)-1-methyl-piperidine-4-carboxylic acid

Systemtic Name: 2-(3-cyclohexa-1,5-dien-1-yloxy-1-benzofuran-2-yl)-1-methyl-piperidine-4-carboxylic acid Openeye Name: 2-(3-cyclohexa-1,5-dien-1-yloxybenzofuran-2-yl)-1-methyl-piperidine-4-carboxylic acid CAS Name: 2-[3-(1-cyclohexa-1,5-dienyloxy)-2-benzofuranyl]-1-methyl-4-piperidinecarboxylic acid IUPAC Name: 2-(3-cyclohexa-1,5-dien-1-yloxy-1-benzofuran-2-yl)-1-methylpiperidine-4-carboxylic acid Traditional Name: 2-(3-cyclohexa-1,5-dien-1-yloxybenzofuran-2-yl)-1-methyl-isonipecotic acid Formula: C21H23NO4 MolecularWeight: 353.41162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1C2=C(C3=CC=CC=C3O2)OC4=CCCC=C4)C(=O)O

Isomeric SMILES

CN1CCC(CC1C2=C(C3=CC=CC=C3O2)OC4=CCCC=C4)C(=O)O

InChI

InChI=1S/C21H23NO4/c1-22-12-11-14(21(23)24)13-17(22)20-19(25-15-7-3-2-4-8-15)16-9-5-6-10-18(16)26-20/h3,5-10,14,17H,2,4,11-13H2,1H3,(H,23,24)