2-tert-butyl-4-[[2-[(3-chlorophenyl)methyl]-3-fluoranyl-phenyl]amino]piperidine-1-carboxylic acid

Systemtic Name: 2-tert-butyl-4-[[2-[(3-chlorophenyl)methyl]-3-fluoranyl-phenyl]amino]piperidine-1-carboxylic acid Openeye Name: 2-tert-butyl-4-[2-[(3-chlorophenyl)methyl]-3-fluoro-anilino]piperidine-1-carboxylic acid CAS Name: 2-tert-butyl-4-[2-[(3-chlorophenyl)methyl]-3-fluoroanilino]-1-piperidinecarboxylic acid IUPAC Name: 2-tert-butyl-4-[2-[(3-chlorophenyl)methyl]-3-fluoroanilino]piperidine-1-carboxylic acid Traditional Name: 2-tert-butyl-4-[2-(3-chlorobenzyl)-3-fluoro-anilino]piperidine-1-carboxylic acid Formula: C23H28ClFN2O2 MolecularWeight: 418.932023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28ClFN2O2/c1-23(2,3)21-14-17(10-11-27(21)22(28)29)26-20-9-5-8-19(25)18(20)13-15-6-4-7-16(24)12-15/h4-9,12,17,21,26H,10-11,13-14H2,1-3H3,(H,28,29)