2-[1-[3,3-bis(4-fluoranyl-2-methyl-phenyl)propoxy]ethyl]piperidine-3-carboxylic acid

Systemtic Name: 2-[1-[3,3-bis(4-fluoranyl-2-methyl-phenyl)propoxy]ethyl]piperidine-3-carboxylic acid Openeye Name: 2-[1-[3,3-bis(4-fluoro-2-methyl-phenyl)propoxy]ethyl]piperidine-3-carboxylic acid CAS Name: 2-[1-[3,3-bis(4-fluoro-2-methylphenyl)propoxy]ethyl]-3-piperidinecarboxylic acid IUPAC Name: 2-[1-[3,3-bis(4-fluoro-2-methylphenyl)propoxy]ethyl]piperidine-3-carboxylic acid Traditional Name: 2-[1-[3,3-bis(4-fluoro-2-methyl-phenyl)propoxy]ethyl]nipecotic acid Formula: C25H31F2NO3 MolecularWeight: 431.515346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)C(CCOC(C)C2C(CCCN2)C(=O)O)C3=C(C=C(C=C3)F)C

Isomeric SMILES

CC1=C(C=CC(=C1)F)C(CCOC(C)C2C(CCCN2)C(=O)O)C3=C(C=C(C=C3)F)C

InChI

InChI=1S/C25H31F2NO3/c1-15-13-18(26)6-8-20(15)22(21-9-7-19(27)14-16(21)2)10-12-31-17(3)24-23(25(29)30)5-4-11-28-24/h6-9,13-14,17,22-24,28H,4-5,10-12H2,1-3H3,(H,29,30)