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

Systemtic Name: [2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] cyclohexanecarboxylate Openeye Name: [2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic 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] cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid [2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C24H29NO5 MolecularWeight: 411.49076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2COC3=CC=CC=C3O2)C)C(=O)COC(=O)C4CCCCC4

Isomeric SMILES

CC1=CC(=C(N1CC2COC3=CC=CC=C3O2)C)C(=O)COC(=O)C4CCCCC4

InChI

InChI=1S/C24H29NO5/c1-16-12-20(21(26)15-29-24(27)18-8-4-3-5-9-18)17(2)25(16)13-19-14-28-22-10-6-7-11-23(22)30-19/h6-7,10-12,18-19H,3-5,8-9,13-15H2,1-2H3