[2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-(furan-2-ylcarbonylamino)propanoate

Systemtic Name: [2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-(furan-2-ylcarbonylamino)propanoate Openeye Name: [2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 2-(furan-2-carbonylamino)propanoate CAS Name: 2-[[2-furanyl(oxo)methyl]amino]propanoic acid [2-[1-(4-bromophenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-(furan-2-carbonylamino)propanoate Traditional Name: 2-(2-furoylamino)propionic acid [2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C22H21BrN2O5 MolecularWeight: 473.31654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C(=O)COC(=O)C(C)NC(=O)C3=CC=CO3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C(=O)COC(=O)C(C)NC(=O)C3=CC=CO3

InChI

InChI=1S/C22H21BrN2O5/c1-13-11-18(15(3)25(13)17-8-6-16(23)7-9-17)19(26)12-30-22(28)14(2)24-21(27)20-5-4-10-29-20/h4-11,14H,12H2,1-3H3,(H,24,27)