methyl 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-methyl-propanoate

Systemtic Name: methyl 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-methyl-propanoate Openeye Name: methyl 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-methyl-propanoate CAS Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-methylpropanoate Traditional Name: 2-methyl-3-(4-piperonylpiperazino)propionic acid methyl ester Formula: C17H24N2O4 MolecularWeight: 320.38346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCN(CC1)CC2=CC3=C(C=C2)OCO3)C(=O)OC

Isomeric SMILES

CC(CN1CCN(CC1)CC2=CC3=C(C=C2)OCO3)C(=O)OC

InChI

InChI=1S/C17H24N2O4/c1-13(17(20)21-2)10-18-5-7-19(8-6-18)11-14-3-4-15-16(9-14)23-12-22-15/h3-4,9,13H,5-8,10-12H2,1-2H3