N-(1,3-benzodioxol-5-ylmethyl)-5-[[butan-2-yl(3-phenylpropanoyl)amino]methyl]-1,2-oxazole-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[butan-2-yl(3-phenylpropanoyl)amino]methyl]-1,2-oxazole-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[3-phenylpropanoyl(sec-butyl)amino]methyl]isoxazole-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[butan-2-yl-(1-oxo-3-phenylpropyl)amino]methyl]-3-isoxazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[butan-2-yl(3-phenylpropanoyl)amino]methyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-[[hydrocinnamoyl(sec-butyl)amino]methyl]-N-piperonyl-isoxazole-3-carboxamide Formula: C26H29N3O5 MolecularWeight: 463.52556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC(=NO1)C(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)CCC4=CC=CC=C4

Isomeric SMILES

CCC(C)N(CC1=CC(=NO1)C(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O5/c1-3-18(2)29(25(30)12-10-19-7-5-4-6-8-19)16-21-14-22(28-34-21)26(31)27-15-20-9-11-23-24(13-20)33-17-32-23/h4-9,11,13-14,18H,3,10,12,15-17H2,1-2H3,(H,27,31)