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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[cyclopentyl(3-phenylpropanoyl)amino]methyl]-1,2-oxazole-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[cyclopentyl(3-phenylpropanoyl)amino]methyl]isoxazole-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[cyclopentyl-(1-oxo-3-phenylpropyl)amino]methyl]-3-isoxazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[cyclopentyl(3-phenylpropanoyl)amino]methyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-[[cyclopentyl(hydrocinnamoyl)amino]methyl]-N-piperonyl-isoxazole-3-carboxamide Formula: C27H29N3O5 MolecularWeight: 475.53626

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N(CC2=CC(=NO2)C(=O)NCC3=CC4=C(C=C3)OCO4)C(=O)CCC5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)N(CC2=CC(=NO2)C(=O)NCC3=CC4=C(C=C3)OCO4)C(=O)CCC5=CC=CC=C5

InChI

InChI=1S/C27H29N3O5/c31-26(13-11-19-6-2-1-3-7-19)30(21-8-4-5-9-21)17-22-15-23(29-35-22)27(32)28-16-20-10-12-24-25(14-20)34-18-33-24/h1-3,6-7,10,12,14-15,21H,4-5,8-9,11,13,16-18H2,(H,28,32)