[2-[1-(4-bromanyl-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-(furan-2-ylcarbonylamino)ethanoate

Systemtic Name: [2-[1-(4-bromanyl-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-(furan-2-ylcarbonylamino)ethanoate Openeye Name: [2-[1-(4-bromo-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 2-(furan-2-carbonylamino)acetate CAS Name: 2-[[2-furanyl(oxo)methyl]amino]acetic acid [2-[1-(4-bromo-3-methylphenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(4-bromo-3-methylphenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate Traditional Name: 2-(2-furoylamino)acetic acid [2-[1-(4-bromo-3-methyl-phenyl)-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)C(=O)COC(=O)CNC(=O)C3=CC=CO3

Isomeric SMILES

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

InChI

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