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

Systemtic Name: [2-[1-(4-bromanyl-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-oxidanylidenepentanoate Openeye Name: [2-[1-(4-bromo-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 4-oxopentanoate CAS Name: 4-oxopentanoic 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] 4-oxopentanoate Traditional Name: 4-ketovaleric acid [2-[1-(4-bromo-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C20H22BrNO4 MolecularWeight: 420.29698

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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)CCC(=O)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=C(C=C2)Br)C)C)C(=O)COC(=O)CCC(=O)C

InChI

InChI=1S/C20H22BrNO4/c1-12-9-16(6-7-18(12)21)22-13(2)10-17(15(22)4)19(24)11-26-20(25)8-5-14(3)23/h6-7,9-10H,5,8,11H2,1-4H3