4-[2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)propanoylamino]benzamide

Systemtic Name: 4-[2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)propanoylamino]benzamide Openeye Name: 4-[2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)propanoylamino]benzamide CAS Name: 4-[[1-oxo-2-(5-spiro[1,3-benzodioxole-2,1'-cyclohexane]ylamino)propyl]amino]benzamide IUPAC Name: 4-[2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)propanoylamino]benzamide Traditional Name: 4-[2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)propanoylamino]benzamide Formula: C22H25N3O4 MolecularWeight: 395.4516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)NC2=CC3=C(C=C2)OC4(O3)CCCCC4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)NC2=CC3=C(C=C2)OC4(O3)CCCCC4

InChI

InChI=1S/C22H25N3O4/c1-14(21(27)25-16-7-5-15(6-8-16)20(23)26)24-17-9-10-18-19(13-17)29-22(28-18)11-3-2-4-12-22/h5-10,13-14,24H,2-4,11-12H2,1H3,(H2,23,26)(H,25,27)