[2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethyl-amino]-2-oxidanylidene-ethyl] 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethyl-amino]-2-oxidanylidene-ethyl] 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: [2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethyl-amino]-2-oxo-ethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid [2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethylamino]-2-oxoethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid [2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethyl-amino]-2-keto-ethyl] ester Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1COC2=CC=CC=C2O1)C(=O)COC(=O)C3=C(C(=C(N3)C)C(=O)C)C

Isomeric SMILES

CCN(C[C@H]1COC2=CC=CC=C2O1)C(=O)COC(=O)C3=C(C(=C(N3)C)C(=O)C)C

InChI

InChI=1S/C22H26N2O6/c1-5-24(10-16-11-28-17-8-6-7-9-18(17)30-16)19(26)12-29-22(27)21-13(2)20(15(4)25)14(3)23-21/h6-9,16,23H,5,10-12H2,1-4H3/t16-/m0/s1