2-tert-butyl-4-[[2-[(3,4-dichlorophenyl)methyl]-3-fluoranyl-phenyl]amino]piperidine-1-carboxylate

Systemtic Name: 2-tert-butyl-4-[[2-[(3,4-dichlorophenyl)methyl]-3-fluoranyl-phenyl]amino]piperidine-1-carboxylate Openeye Name: 2-tert-butyl-4-[2-[(3,4-dichlorophenyl)methyl]-3-fluoro-anilino]piperidine-1-carboxylate CAS Name: 2-tert-butyl-4-[2-[(3,4-dichlorophenyl)methyl]-3-fluoroanilino]-1-piperidinecarboxylate IUPAC Name: 2-tert-butyl-4-[2-[(3,4-dichlorophenyl)methyl]-3-fluoroanilino]piperidine-1-carboxylate Traditional Name: 2-tert-butyl-4-[2-(3,4-dichlorobenzyl)-3-fluoro-anilino]piperidine-1-carboxylate Formula: C23H26Cl2FN2O2- MolecularWeight: 452.369143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CC(CCN1C(=O)[O-])NC2=C(C(=CC=C2)F)CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CC(C)(C)C1CC(CCN1C(=O)[O-])NC2=C(C(=CC=C2)F)CC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C23H27Cl2FN2O2/c1-23(2,3)21-13-15(9-10-28(21)22(29)30)27-20-6-4-5-19(26)16(20)11-14-7-8-17(24)18(25)12-14/h4-8,12,15,21,27H,9-11,13H2,1-3H3,(H,29,30)/p-1