1-[2-(5,6-dihydrobenzo[b][1]benzoxepin-5-yloxy)ethyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[2-(5,6-dihydrobenzo[b][1]benzoxepin-5-yloxy)ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-(5,6-dihydrobenzo[b][1]benzoxepin-5-yloxy)ethyl]piperidine-3-carboxylic acid CAS Name: 1-[2-(5,6-dihydrobenzo[b][1]benzoxepin-5-yloxy)ethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-(5,6-dihydrobenzo[b][1]benzoxepin-5-yloxy)ethyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-(5,6-dihydrobenzo[b][1]benzoxepin-5-yloxy)ethyl]nipecotic acid Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CCOC2CC3=CC=CC=C3OC4=CC=CC=C24)C(=O)O

Isomeric SMILES

C1CC(CN(C1)CCOC2CC3=CC=CC=C3OC4=CC=CC=C24)C(=O)O

InChI

InChI=1S/C22H25NO4/c24-22(25)17-7-5-11-23(15-17)12-13-26-21-14-16-6-1-3-9-19(16)27-20-10-4-2-8-18(20)21/h1-4,6,8-10,17,21H,5,7,11-15H2,(H,24,25)