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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[(4-tert-butylphenyl)carbonyl-phenethyl-amino]methyl]-1,2-oxazole-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[(4-tert-butylbenzoyl)-phenethyl-amino]methyl]isoxazole-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[[(4-tert-butylphenyl)-oxomethyl]-phenethylamino]methyl]-3-isoxazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[(4-tert-butylbenzoyl)-phenethylamino]methyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-[[(4-tert-butylbenzoyl)-phenethyl-amino]methyl]-N-piperonyl-isoxazole-3-carboxamide Formula: C32H33N3O5 MolecularWeight: 539.62152

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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)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N(CCC2=CC=CC=C2)CC3=CC(=NO3)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C32H33N3O5/c1-32(2,3)25-12-10-24(11-13-25)31(37)35(16-15-22-7-5-4-6-8-22)20-26-18-27(34-40-26)30(36)33-19-23-9-14-28-29(17-23)39-21-38-28/h4-14,17-18H,15-16,19-21H2,1-3H3,(H,33,36)