1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-pyrrol-3-yl]-2-(3-oxidanylpiperidin-1-yl)ethanone

Systemtic Name: 1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-pyrrol-3-yl]-2-(3-oxidanylpiperidin-1-yl)ethanone Openeye Name: 1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-pyrrol-3-yl]-2-(3-hydroxy-1-piperidyl)ethanone CAS Name: 1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-3-pyrrolyl]-2-(3-hydroxy-1-piperidinyl)ethanone IUPAC Name: 1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethylpyrrol-3-yl]-2-(3-hydroxypiperidin-1-yl)ethanone Traditional Name: 1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-pyrrol-3-yl]-2-(3-hydroxypiperidino)ethanone Formula: C21H26N2O4 MolecularWeight: 370.44214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC3=C(C=C2)OCCO3)C)C(=O)CN4CCCC(C4)O

Isomeric SMILES

CC1=CC(=C(N1C2=CC3=C(C=C2)OCCO3)C)C(=O)CN4CCCC(C4)O

InChI

InChI=1S/C21H26N2O4/c1-14-10-18(19(25)13-22-7-3-4-17(24)12-22)15(2)23(14)16-5-6-20-21(11-16)27-9-8-26-20/h5-6,10-11,17,24H,3-4,7-9,12-13H2,1-2H3