1-[2-[2-[(2-chloranyl-4-fluoranyl-phenyl)-(2-methylpropyl)amino]ethoxy]ethyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[2-[2-[(2-chloranyl-4-fluoranyl-phenyl)-(2-methylpropyl)amino]ethoxy]ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-[2-(2-chloro-4-fluoro-N-isobutyl-anilino)ethoxy]ethyl]piperidine-3-carboxylic acid CAS Name: 1-[2-[2-[2-chloro-4-fluoro-N-(2-methylpropyl)anilino]ethoxy]ethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-[2-[2-chloro-4-fluoro-N-(2-methylpropyl)anilino]ethoxy]ethyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-[2-(2-chloro-4-fluoro-N-isobutyl-anilino)ethoxy]ethyl]nipecotic acid Formula: C20H30ClFN2O3 MolecularWeight: 400.915203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CCOCCN1CCCC(C1)C(=O)O)C2=C(C=C(C=C2)F)Cl

Isomeric SMILES

CC(C)CN(CCOCCN1CCCC(C1)C(=O)O)C2=C(C=C(C=C2)F)Cl

InChI

InChI=1S/C20H30ClFN2O3/c1-15(2)13-24(19-6-5-17(22)12-18(19)21)9-11-27-10-8-23-7-3-4-16(14-23)20(25)26/h5-6,12,15-16H,3-4,7-11,13-14H2,1-2H3,(H,25,26)