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

Systemtic Name: methyl 4-[(3R)-3-(1,3-benzodioxol-5-ylcarbonyl)piperidin-1-yl]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[(3R)-3-(1,3-benzodioxole-5-carbonyl)-1-piperidyl]-4-oxo-butanoate CAS Name: 4-[(3R)-3-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperidinyl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[(3R)-3-(1,3-benzodioxole-5-carbonyl)piperidin-1-yl]-4-oxobutanoate Traditional Name: 4-keto-4-[(3R)-3-piperonyloylpiperidino]butyric acid methyl ester Formula: C18H21NO6 MolecularWeight: 347.36244

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)N1CCCC(C1)C(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC(=O)CCC(=O)N1CCC[C@H](C1)C(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H21NO6/c1-23-17(21)7-6-16(20)19-8-2-3-13(10-19)18(22)12-4-5-14-15(9-12)25-11-24-14/h4-5,9,13H,2-3,6-8,10-11H2,1H3/t13-/m1/s1