[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-acetamido-3-methyl-benzoate

Systemtic Name: [2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-acetamido-3-methyl-benzoate Openeye Name: [2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 2-acetamido-3-methyl-benzoate CAS Name: 2-acetamido-3-methylbenzoic acid [2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-acetamido-3-methylbenzoate Traditional Name: 2-acetamido-3-methyl-benzoic acid [2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-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=CC(=C1NC(=O)C)C(=O)OCC(=O)C2=C(N(C(=C2)C)C3=CC4=C(C=C3)OCCO4)C

Isomeric SMILES

CC1=CC=CC(=C1NC(=O)C)C(=O)OCC(=O)C2=C(N(C(=C2)C)C3=CC4=C(C=C3)OCCO4)C

InChI

InChI=1S/C26H26N2O6/c1-15-6-5-7-20(25(15)27-18(4)29)26(31)34-14-22(30)21-12-16(2)28(17(21)3)19-8-9-23-24(13-19)33-11-10-32-23/h5-9,12-13H,10-11,14H2,1-4H3,(H,27,29)