4-[4-[3-(2-chloranylphenoxy)propoxy]phenyl]-3-oxidanyl-piperidine-1-carboxylic acid

Systemtic Name: 4-[4-[3-(2-chloranylphenoxy)propoxy]phenyl]-3-oxidanyl-piperidine-1-carboxylic acid Openeye Name: 4-[4-[3-(2-chlorophenoxy)propoxy]phenyl]-3-hydroxy-piperidine-1-carboxylic acid CAS Name: 4-[4-[3-(2-chlorophenoxy)propoxy]phenyl]-3-hydroxy-1-piperidinecarboxylic acid IUPAC Name: 4-[4-[3-(2-chlorophenoxy)propoxy]phenyl]-3-hydroxypiperidine-1-carboxylic acid Traditional Name: 4-[4-[3-(2-chlorophenoxy)propoxy]phenyl]-3-hydroxy-piperidine-1-carboxylic acid Formula: C21H24ClNO5 MolecularWeight: 405.87196

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1C2=CC=C(C=C2)OCCCOC3=CC=CC=C3Cl)O)C(=O)O

Isomeric SMILES

C1CN(CC(C1C2=CC=C(C=C2)OCCCOC3=CC=CC=C3Cl)O)C(=O)O

InChI

InChI=1S/C21H24ClNO5/c22-18-4-1-2-5-20(18)28-13-3-12-27-16-8-6-15(7-9-16)17-10-11-23(21(25)26)14-19(17)24/h1-2,4-9,17,19,24H,3,10-14H2,(H,25,26)