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

Systemtic Name: 2-[2,2-bis(4-fluoranyl-2-methyl-phenyl)ethenyl]-1-(2-oxidanylideneethyl)piperidine-3-carboxylic acid Openeye Name: 2-[2,2-bis(4-fluoro-2-methyl-phenyl)vinyl]-1-(2-oxoethyl)piperidine-3-carboxylic acid CAS Name: 2-[2,2-bis(4-fluoro-2-methylphenyl)ethenyl]-1-(2-oxoethyl)-3-piperidinecarboxylic acid IUPAC Name: 2-[2,2-bis(4-fluoro-2-methylphenyl)ethenyl]-1-(2-oxoethyl)piperidine-3-carboxylic acid Traditional Name: 2-[2,2-bis(4-fluoro-2-methyl-phenyl)vinyl]-1-(2-ketoethyl)nipecotic acid Formula: C24H25F2NO3 MolecularWeight: 413.457006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)C(=CC2C(CCCN2CC=O)C(=O)O)C3=C(C=C(C=C3)F)C

Isomeric SMILES

CC1=C(C=CC(=C1)F)C(=CC2C(CCCN2CC=O)C(=O)O)C3=C(C=C(C=C3)F)C

InChI

InChI=1S/C24H25F2NO3/c1-15-12-17(25)5-7-19(15)22(20-8-6-18(26)13-16(20)2)14-23-21(24(29)30)4-3-9-27(23)10-11-28/h5-8,11-14,21,23H,3-4,9-10H2,1-2H3,(H,29,30)