2-[(2S,3R)-3-azanyl-4-(2-fluorophenyl)-2-oxidanyl-butyl]-N-tert-butyl-5-methyl-benzamide

Systemtic Name: 2-[(2S,3R)-3-azanyl-4-(2-fluorophenyl)-2-oxidanyl-butyl]-N-tert-butyl-5-methyl-benzamide Openeye Name: 2-[(2S,3R)-3-amino-4-(2-fluorophenyl)-2-hydroxy-butyl]-N-tert-butyl-5-methyl-benzamide CAS Name: 2-[(2S,3R)-3-amino-4-(2-fluorophenyl)-2-hydroxybutyl]-N-tert-butyl-5-methylbenzamide IUPAC Name: 2-[(2S,3R)-3-amino-4-(2-fluorophenyl)-2-hydroxybutyl]-N-tert-butyl-5-methylbenzamide Traditional Name: 2-[(2S,3R)-3-amino-4-(2-fluorophenyl)-2-hydroxy-butyl]-N-tert-butyl-5-methyl-benzamide Formula: C22H29FN2O2 MolecularWeight: 372.476263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CC(C(CC2=CC=CC=C2F)N)O)C(=O)NC(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C[C@@H]([C@@H](CC2=CC=CC=C2F)N)O)C(=O)NC(C)(C)C

InChI

InChI=1S/C22H29FN2O2/c1-14-9-10-15(17(11-14)21(27)25-22(2,3)4)13-20(26)19(24)12-16-7-5-6-8-18(16)23/h5-11,19-20,26H,12-13,24H2,1-4H3,(H,25,27)/t19-,20+/m1/s1