4-[4-[2-(4-bromanylphenoxy)ethoxy]phenyl]-3-oxidanyl-piperidine-1-carboxylic acid

Systemtic Name: 4-[4-[2-(4-bromanylphenoxy)ethoxy]phenyl]-3-oxidanyl-piperidine-1-carboxylic acid Openeye Name: 4-[4-[2-(4-bromophenoxy)ethoxy]phenyl]-3-hydroxy-piperidine-1-carboxylic acid CAS Name: 4-[4-[2-(4-bromophenoxy)ethoxy]phenyl]-3-hydroxy-1-piperidinecarboxylic acid IUPAC Name: 4-[4-[2-(4-bromophenoxy)ethoxy]phenyl]-3-hydroxypiperidine-1-carboxylic acid Traditional Name: 4-[4-[2-(4-bromophenoxy)ethoxy]phenyl]-3-hydroxy-piperidine-1-carboxylic acid Formula: C20H22BrNO5 MolecularWeight: 436.29638

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1C2=CC=C(C=C2)OCCOC3=CC=C(C=C3)Br)O)C(=O)O

Isomeric SMILES

C1CN(CC(C1C2=CC=C(C=C2)OCCOC3=CC=C(C=C3)Br)O)C(=O)O

InChI

InChI=1S/C20H22BrNO5/c21-15-3-7-17(8-4-15)27-12-11-26-16-5-1-14(2-6-16)18-9-10-22(20(24)25)13-19(18)23/h1-8,18-19,23H,9-13H2,(H,24,25)