1-[2-[2-[(3-chlorophenyl)-phenyl-amino]ethoxy]ethyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[2-[2-[(3-chlorophenyl)-phenyl-amino]ethoxy]ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-[2-(N-(3-chlorophenyl)anilino)ethoxy]ethyl]piperidine-3-carboxylic acid CAS Name: 1-[2-[2-(N-(3-chlorophenyl)anilino)ethoxy]ethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-[2-(N-(3-chlorophenyl)anilino)ethoxy]ethyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-[2-(N-(3-chlorophenyl)anilino)ethoxy]ethyl]nipecotic acid Formula: C22H27ClN2O3 MolecularWeight: 402.91438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CCOCCN(C2=CC=CC=C2)C3=CC(=CC=C3)Cl)C(=O)O

Isomeric SMILES

C1CC(CN(C1)CCOCCN(C2=CC=CC=C2)C3=CC(=CC=C3)Cl)C(=O)O

InChI

InChI=1S/C22H27ClN2O3/c23-19-7-4-10-21(16-19)25(20-8-2-1-3-9-20)13-15-28-14-12-24-11-5-6-18(17-24)22(26)27/h1-4,7-10,16,18H,5-6,11-15,17H2,(H,26,27)