methyl 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-oxidanylidene-pentanoate

Systemtic Name: methyl 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-oxidanylidene-pentanoate Openeye Name: methyl 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-oxo-pentanoate CAS Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-oxopentanoic acid methyl ester IUPAC Name: methyl 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-oxopentanoate Traditional Name: 5-keto-5-(4-piperonylpiperazino)valeric acid methyl ester Formula: C18H24N2O5 MolecularWeight: 348.39356

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC(=O)CCCC(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H24N2O5/c1-23-18(22)4-2-3-17(21)20-9-7-19(8-10-20)12-14-5-6-15-16(11-14)25-13-24-15/h5-6,11H,2-4,7-10,12-13H2,1H3