[(2S)-1-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-1-oxidanylidene-propan-2-yl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [(2S)-1-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-1-oxidanylidene-propan-2-yl] 1,3-benzodioxole-5-carboxylate Openeye Name: [(1S)-2-[1-(2-furylmethyl)-2,5-dimethyl-pyrrol-3-yl]-1-methyl-2-oxo-ethyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [(2S)-1-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [(1S)-2-[1-(2-furfuryl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-1-methyl-ethyl] ester Formula: C22H21NO6 MolecularWeight: 395.40524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)C(C)OC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)[C@H](C)OC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H21NO6/c1-13-9-18(14(2)23(13)11-17-5-4-8-26-17)21(24)15(3)29-22(25)16-6-7-19-20(10-16)28-12-27-19/h4-10,15H,11-12H2,1-3H3/t15-/m0/s1