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

Systemtic Name: 5-[[(4-tert-butylphenyl)carbonyl-phenethyl-amino]methyl]-N-(cyclopropylmethyl)-1,2-oxazole-3-carboxamide Openeye Name: 5-[[(4-tert-butylbenzoyl)-phenethyl-amino]methyl]-N-(cyclopropylmethyl)isoxazole-3-carboxamide CAS Name: 5-[[[(4-tert-butylphenyl)-oxomethyl]-phenethylamino]methyl]-N-(cyclopropylmethyl)-3-isoxazolecarboxamide IUPAC Name: 5-[[(4-tert-butylbenzoyl)-phenethylamino]methyl]-N-(cyclopropylmethyl)-1,2-oxazole-3-carboxamide Traditional Name: 5-[[(4-tert-butylbenzoyl)-phenethyl-amino]methyl]-N-(cyclopropylmethyl)isoxazole-3-carboxamide Formula: C28H33N3O3 MolecularWeight: 459.57992

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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)NCC4CC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N(CCC2=CC=CC=C2)CC3=CC(=NO3)C(=O)NCC4CC4

InChI

InChI=1S/C28H33N3O3/c1-28(2,3)23-13-11-22(12-14-23)27(33)31(16-15-20-7-5-4-6-8-20)19-24-17-25(30-34-24)26(32)29-18-21-9-10-21/h4-8,11-14,17,21H,9-10,15-16,18-19H2,1-3H3,(H,29,32)