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

Systemtic Name: 1-[2-[1,1-bis(4-fluoranyl-2-methyl-phenyl)ethoxy]ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-[1,1-bis(4-fluoro-2-methyl-phenyl)ethoxy]ethyl]piperidine-3-carboxylic acid CAS Name: 1-[2-[1,1-bis(4-fluoro-2-methylphenyl)ethoxy]ethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-[1,1-bis(4-fluoro-2-methylphenyl)ethoxy]ethyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-[1,1-bis(4-fluoro-2-methyl-phenyl)ethoxy]ethyl]nipecotic acid Formula: C24H29F2NO3 MolecularWeight: 417.488766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)C(C)(C2=C(C=C(C=C2)F)C)OCCN3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)F)C(C)(C2=C(C=C(C=C2)F)C)OCCN3CCCC(C3)C(=O)O

InChI

InChI=1S/C24H29F2NO3/c1-16-13-19(25)6-8-21(16)24(3,22-9-7-20(26)14-17(22)2)30-12-11-27-10-4-5-18(15-27)23(28)29/h6-9,13-14,18H,4-5,10-12,15H2,1-3H3,(H,28,29)