[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] butanoate

Systemtic Name: [2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] butanoate Openeye Name: [2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] butanoate CAS Name: butanoic acid [2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] butanoate Traditional Name: butyric acid [2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCC(=O)C1=C(N(C(=C1)C)CC2COC3=CC=CC=C3O2)C

Isomeric SMILES

CCCC(=O)OCC(=O)C1=C(N(C(=C1)C)CC2COC3=CC=CC=C3O2)C

InChI

InChI=1S/C21H25NO5/c1-4-7-21(24)26-13-18(23)17-10-14(2)22(15(17)3)11-16-12-25-19-8-5-6-9-20(19)27-16/h5-6,8-10,16H,4,7,11-13H2,1-3H3