5-[[(4-methylphenyl)carbonyl-phenethyl-amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide

Systemtic Name: 5-[[(4-methylphenyl)carbonyl-phenethyl-amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide Openeye Name: N-isobutyl-5-[[(4-methylbenzoyl)-phenethyl-amino]methyl]isoxazole-3-carboxamide CAS Name: 5-[[[(4-methylphenyl)-oxomethyl]-phenethylamino]methyl]-N-(2-methylpropyl)-3-isoxazolecarboxamide IUPAC Name: 5-[[(4-methylbenzoyl)-phenethylamino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide Traditional Name: N-isobutyl-5-[[phenethyl(p-toluoyl)amino]methyl]isoxazole-3-carboxamide Formula: C25H29N3O3 MolecularWeight: 419.51606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N(CCC2=CC=CC=C2)CC3=CC(=NO3)C(=O)NCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N(CCC2=CC=CC=C2)CC3=CC(=NO3)C(=O)NCC(C)C

InChI

InChI=1S/C25H29N3O3/c1-18(2)16-26-24(29)23-15-22(31-27-23)17-28(14-13-20-7-5-4-6-8-20)25(30)21-11-9-19(3)10-12-21/h4-12,15,18H,13-14,16-17H2,1-3H3,(H,26,29)