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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[(4-methoxyphenyl)methyl-phenethyl-amino]methyl]-1,2-oxazole-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[(4-methoxyphenyl)methyl-phenethyl-amino]methyl]isoxazole-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[(4-methoxyphenyl)methyl-phenethylamino]methyl]-3-isoxazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[(4-methoxyphenyl)methyl-phenethylamino]methyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-[[p-anisyl(phenethyl)amino]methyl]-N-piperonyl-isoxazole-3-carboxamide Formula: C29H29N3O5 MolecularWeight: 499.55766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(CCC2=CC=CC=C2)CC3=CC(=NO3)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=C(C=C1)CN(CCC2=CC=CC=C2)CC3=CC(=NO3)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C29H29N3O5/c1-34-24-10-7-22(8-11-24)18-32(14-13-21-5-3-2-4-6-21)19-25-16-26(31-37-25)29(33)30-17-23-9-12-27-28(15-23)36-20-35-27/h2-12,15-16H,13-14,17-20H2,1H3,(H,30,33)