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

Systemtic Name: 1-[2-[2,2-bis(4-fluoranyl-2-methyl-phenyl)ethenoxy]ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-[2,2-bis(4-fluoro-2-methyl-phenyl)vinyloxy]ethyl]piperidine-3-carboxylic acid CAS Name: 1-[2-[2,2-bis(4-fluoro-2-methylphenyl)ethenoxy]ethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-[2,2-bis(4-fluoro-2-methylphenyl)ethenoxy]ethyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-[2,2-bis(4-fluoro-2-methyl-phenyl)vinyloxy]ethyl]nipecotic acid Formula: C24H27F2NO3 MolecularWeight: 415.472886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)C(=COCCN2CCCC(C2)C(=O)O)C3=C(C=C(C=C3)F)C

Isomeric SMILES

CC1=C(C=CC(=C1)F)C(=COCCN2CCCC(C2)C(=O)O)C3=C(C=C(C=C3)F)C

InChI

InChI=1S/C24H27F2NO3/c1-16-12-19(25)5-7-21(16)23(22-8-6-20(26)13-17(22)2)15-30-11-10-27-9-3-4-18(14-27)24(28)29/h5-8,12-13,15,18H,3-4,9-11,14H2,1-2H3,(H,28,29)