1-(3-benzo[d][1,3,6]benzodioxazocin-5-ylpropyl)piperidine-4-carboxylic acid

Systemtic Name: 1-(3-benzo[d][1,3,6]benzodioxazocin-5-ylpropyl)piperidine-4-carboxylic acid Openeye Name: 1-(3-benzo[d][1,3,6]benzodioxazocin-5-ylpropyl)piperidine-4-carboxylic acid CAS Name: 1-[3-(5-benzo[d][1,3,6]benzodioxazocinyl)propyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(3-benzo[d][1,3,6]benzodioxazocin-5-ylpropyl)piperidine-4-carboxylic acid Traditional Name: 1-(3-benzo[d][1,3,6]benzodioxazocin-5-ylpropyl)isonipecotic acid Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)CCCN2C3=CC=CC=C3OCOC4=CC=CC=C42

Isomeric SMILES

C1CN(CCC1C(=O)O)CCCN2C3=CC=CC=C3OCOC4=CC=CC=C42

InChI

InChI=1S/C22H26N2O4/c25-22(26)17-10-14-23(15-11-17)12-5-13-24-18-6-1-3-8-20(18)27-16-28-21-9-4-2-7-19(21)24/h1-4,6-9,17H,5,10-16H2,(H,25,26)