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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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