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

Systemtic Name: [2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-methylbutanoate Openeye Name: [2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 2-methylbutanoate CAS Name: 2-methylbutanoic 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] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO5/c1-5-14(2)22(25)27-13-19(24)18-10-15(3)23(16(18)4)11-17-12-26-20-8-6-7-9-21(20)28-17/h6-10,14,17H,5,11-13H2,1-4H3