2-[(2S,3R)-3-azanyl-4-(2-fluorophenyl)-2-oxidanyl-butyl]-N-tert-butyl-6-methyl-benzamide hydrochloride

Systemtic Name: 2-[(2S,3R)-3-azanyl-4-(2-fluorophenyl)-2-oxidanyl-butyl]-N-tert-butyl-6-methyl-benzamide hydrochloride Openeye Name: 2-[(2S,3R)-3-amino-4-(2-fluorophenyl)-2-hydroxy-butyl]-N-tert-butyl-6-methyl-benzamide hydrochloride CAS Name: 2-[(2S,3R)-3-amino-4-(2-fluorophenyl)-2-hydroxybutyl]-N-tert-butyl-6-methylbenzamide hydrochloride IUPAC Name: 2-[(2S,3R)-3-amino-4-(2-fluorophenyl)-2-hydroxybutyl]-N-tert-butyl-6-methylbenzamide hydrochloride Traditional Name: 2-[(2S,3R)-3-amino-4-(2-fluorophenyl)-2-hydroxy-butyl]-N-tert-butyl-6-methyl-benzamide hydrochloride Formula: C22H30ClFN2O2 MolecularWeight: 408.937203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29FN2O2.ClH/c1-14-8-7-10-16(20(14)21(27)25-22(2,3)4)13-19(26)18(24)12-15-9-5-6-11-17(15)23;/h5-11,18-19,26H,12-13,24H2,1-4H3,(H,25,27);1H/t18-,19+;/m1./s1