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

Systemtic Name: [2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-acetamidobenzoate Openeye Name: [2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 4-acetamidobenzoate CAS Name: 4-acetamidobenzoic 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] 4-acetamidobenzoate Traditional Name: 4-acetamidobenzoic acid [2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C26H26N2O6 MolecularWeight: 462.49444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2COC3=CC=CC=C3O2)C)C(=O)COC(=O)C4=CC=C(C=C4)NC(=O)C

Isomeric SMILES

CC1=CC(=C(N1CC2COC3=CC=CC=C3O2)C)C(=O)COC(=O)C4=CC=C(C=C4)NC(=O)C

InChI

InChI=1S/C26H26N2O6/c1-16-12-22(17(2)28(16)13-21-14-32-24-6-4-5-7-25(24)34-21)23(30)15-33-26(31)19-8-10-20(11-9-19)27-18(3)29/h4-12,21H,13-15H2,1-3H3,(H,27,29)