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

Systemtic Name: methyl 4-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-piperidyl]-4-oxo-butanoate CAS Name: 4-[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-piperidinyl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-4-oxobutanoate Traditional Name: 4-keto-4-[3-(4-piperonylpiperazino)piperidino]butyric acid methyl ester Formula: C22H31N3O5 MolecularWeight: 417.49864

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)N1CCCC(C1)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)CCC(=O)N1CCCC(C1)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H31N3O5/c1-28-22(27)7-6-21(26)25-8-2-3-18(15-25)24-11-9-23(10-12-24)14-17-4-5-19-20(13-17)30-16-29-19/h4-5,13,18H,2-3,6-12,14-16H2,1H3