3-(3,4-dichlorophenyl)-2-ethyl-4-phenyl-5-pyrrolidin-3-yl-1,3-bis(trifluoromethyl)piperidine-4-carboxylic acid

Systemtic Name: 3-(3,4-dichlorophenyl)-2-ethyl-4-phenyl-5-pyrrolidin-3-yl-1,3-bis(trifluoromethyl)piperidine-4-carboxylic acid Openeye Name: 3-(3,4-dichlorophenyl)-2-ethyl-4-phenyl-5-pyrrolidin-3-yl-1,3-bis(trifluoromethyl)piperidine-4-carboxylic acid CAS Name: 3-(3,4-dichlorophenyl)-2-ethyl-4-phenyl-5-(3-pyrrolidinyl)-1,3-bis(trifluoromethyl)-4-piperidinecarboxylic acid IUPAC Name: 3-(3,4-dichlorophenyl)-2-ethyl-4-phenyl-5-pyrrolidin-3-yl-1,3-bis(trifluoromethyl)piperidine-4-carboxylic acid Traditional Name: 3-(3,4-dichlorophenyl)-2-ethyl-4-phenyl-5-pyrrolidin-3-yl-1,3-bis(trifluoromethyl)isonipecotic acid Formula: C26H26Cl2F6N2O2 MolecularWeight: 583.393259

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(CN1C(F)(F)F)C2CCNC2)(C3=CC=CC=C3)C(=O)O)(C4=CC(=C(C=C4)Cl)Cl)C(F)(F)F

Isomeric SMILES

CCC1C(C(C(CN1C(F)(F)F)C2CCNC2)(C3=CC=CC=C3)C(=O)O)(C4=CC(=C(C=C4)Cl)Cl)C(F)(F)F

InChI

InChI=1S/C26H26Cl2F6N2O2/c1-2-21-24(25(29,30)31,17-8-9-19(27)20(28)12-17)23(22(37)38,16-6-4-3-5-7-16)18(15-10-11-35-13-15)14-36(21)26(32,33)34/h3-9,12,15,18,21,35H,2,10-11,13-14H2,1H3,(H,37,38)