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

Systemtic Name: 2-tert-butyl-4-[[4-fluoranyl-2-(phenylmethyl)phenyl]amino]piperidine-1-carboxylic acid Openeye Name: 4-(2-benzyl-4-fluoro-anilino)-2-tert-butyl-piperidine-1-carboxylic acid CAS Name: 2-tert-butyl-4-[4-fluoro-2-(phenylmethyl)anilino]-1-piperidinecarboxylic acid IUPAC Name: 4-(2-benzyl-4-fluoroanilino)-2-tert-butylpiperidine-1-carboxylic acid Traditional Name: 4-(2-benzyl-4-fluoro-anilino)-2-tert-butyl-piperidine-1-carboxylic acid Formula: C23H29FN2O2 MolecularWeight: 384.486963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29FN2O2/c1-23(2,3)21-15-19(11-12-26(21)22(27)28)25-20-10-9-18(24)14-17(20)13-16-7-5-4-6-8-16/h4-10,14,19,21,25H,11-13,15H2,1-3H3,(H,27,28)