3-(1,3-benzodioxol-5-yloxy)-N-(1-methylpyrazol-3-yl)-5-[(2S)-1-oxidanylpropan-2-yl]oxy-benzamide

Systemtic Name: 3-(1,3-benzodioxol-5-yloxy)-N-(1-methylpyrazol-3-yl)-5-[(2S)-1-oxidanylpropan-2-yl]oxy-benzamide Openeye Name: 3-(1,3-benzodioxol-5-yloxy)-5-[(1S)-2-hydroxy-1-methyl-ethoxy]-N-(1-methylpyrazol-3-yl)benzamide CAS Name: 3-(1,3-benzodioxol-5-yloxy)-5-[(2S)-1-hydroxypropan-2-yl]oxy-N-(1-methyl-3-pyrazolyl)benzamide IUPAC Name: 3-(1,3-benzodioxol-5-yloxy)-5-[(2S)-1-hydroxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide Traditional Name: 3-(1,3-benzodioxol-5-yloxy)-5-[(1S)-2-hydroxy-1-methyl-ethoxy]-N-(1-methylpyrazol-3-yl)benzamide Formula: C21H21N3O6 MolecularWeight: 411.40794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CO)OC1=CC(=CC(=C1)OC2=CC3=C(C=C2)OCO3)C(=O)NC4=NN(C=C4)C

Isomeric SMILES

C[C@@H](CO)OC1=CC(=CC(=C1)OC2=CC3=C(C=C2)OCO3)C(=O)NC4=NN(C=C4)C

InChI

InChI=1S/C21H21N3O6/c1-13(11-25)29-16-7-14(21(26)22-20-5-6-24(2)23-20)8-17(9-16)30-15-3-4-18-19(10-15)28-12-27-18/h3-10,13,25H,11-12H2,1-2H3,(H,22,23,26)/t13-/m0/s1