5-[[(4-tert-butylphenyl)carbonyl-phenethyl-amino]methyl]-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide

Systemtic Name: 5-[[(4-tert-butylphenyl)carbonyl-phenethyl-amino]methyl]-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-[[(4-tert-butylbenzoyl)-phenethyl-amino]methyl]-N-[(4-fluorophenyl)methyl]isoxazole-3-carboxamide CAS Name: 5-[[[(4-tert-butylphenyl)-oxomethyl]-phenethylamino]methyl]-N-[(4-fluorophenyl)methyl]-3-isoxazolecarboxamide IUPAC Name: 5-[[(4-tert-butylbenzoyl)-phenethylamino]methyl]-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-[[(4-tert-butylbenzoyl)-phenethyl-amino]methyl]-N-(4-fluorobenzyl)isoxazole-3-carboxamide Formula: C31H32FN3O3 MolecularWeight: 513.602483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N(CCC2=CC=CC=C2)CC3=CC(=NO3)C(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N(CCC2=CC=CC=C2)CC3=CC(=NO3)C(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C31H32FN3O3/c1-31(2,3)25-13-11-24(12-14-25)30(37)35(18-17-22-7-5-4-6-8-22)21-27-19-28(34-38-27)29(36)33-20-23-9-15-26(32)16-10-23/h4-16,19H,17-18,20-21H2,1-3H3,(H,33,36)