4-[3-[3-(1,3-benzodioxol-5-yl)propanoyl-ethyl-amino]propanoylamino]benzamide

Systemtic Name: 4-[3-[3-(1,3-benzodioxol-5-yl)propanoyl-ethyl-amino]propanoylamino]benzamide Openeye Name: 4-[3-[3-(1,3-benzodioxol-5-yl)propanoyl-ethyl-amino]propanoylamino]benzamide CAS Name: 4-[[3-[[3-(1,3-benzodioxol-5-yl)-1-oxopropyl]-ethylamino]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[3-[3-(1,3-benzodioxol-5-yl)propanoyl-ethylamino]propanoylamino]benzamide Traditional Name: 4-[3-[3-(1,3-benzodioxol-5-yl)propanoyl-ethyl-amino]propanoylamino]benzamide Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC(=O)NC1=CC=C(C=C1)C(=O)N)C(=O)CCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCN(CCC(=O)NC1=CC=C(C=C1)C(=O)N)C(=O)CCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C22H25N3O5/c1-2-25(12-11-20(26)24-17-7-5-16(6-8-17)22(23)28)21(27)10-4-15-3-9-18-19(13-15)30-14-29-18/h3,5-9,13H,2,4,10-12,14H2,1H3,(H2,23,28)(H,24,26)