2-[2-[(4aR,11R,11aS)-11-methyl-9-(trifluoromethyl)-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazol-2-yl]ethyl]piperidine-2-carboxylic acid

Systemtic Name: 2-[2-[(4aR,11R,11aS)-11-methyl-9-(trifluoromethyl)-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazol-2-yl]ethyl]piperidine-2-carboxylic acid Openeye Name: 2-[2-[(4aR,11R,11aS)-11-methyl-9-(trifluoromethyl)-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazol-2-yl]ethyl]piperidine-2-carboxylic acid CAS Name: 2-[2-[(4aR,11R,11aS)-11-methyl-9-(trifluoromethyl)-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazol-2-yl]ethyl]-2-piperidinecarboxylic acid IUPAC Name: 2-[2-[(4aR,11R,11aS)-11-methyl-9-(trifluoromethyl)-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazol-2-yl]ethyl]piperidine-2-carboxylic acid Traditional Name: 2-[2-[(4aR,11R,11aS)-11-methyl-9-(trifluoromethyl)-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazol-2-yl]ethyl]pipecolinic acid Formula: C25H32F3N3O2 MolecularWeight: 463.53569

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2CN(CCC2CC3=C1C4=C(N3)C=CC(=C4)C(F)(F)F)CCC5(CCCCN5)C(=O)O

Isomeric SMILES

C[C@@H]1[C@H]2CN(CC[C@@H]2CC3=C1C4=C(N3)C=CC(=C4)C(F)(F)F)CCC5(CCCCN5)C(=O)O

InChI

InChI=1S/C25H32F3N3O2/c1-15-19-14-31(11-8-24(23(32)33)7-2-3-9-29-24)10-6-16(19)12-21-22(15)18-13-17(25(26,27)28)4-5-20(18)30-21/h4-5,13,15-16,19,29-30H,2-3,6-12,14H2,1H3,(H,32,33)/t15-,16-,19-,24?/m1/s1