[2-[1-[(2R)-1-methoxypropan-2-yl]-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-bromanylbenzoate

Systemtic Name: [2-[1-[(2R)-1-methoxypropan-2-yl]-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-bromanylbenzoate Openeye Name: [2-[1-[(1R)-2-methoxy-1-methyl-ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [2-[1-[(2R)-1-methoxypropan-2-yl]-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-[(2R)-1-methoxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [2-keto-2-[1-[(1R)-2-methoxy-1-methyl-ethyl]-2,5-dimethyl-pyrrol-3-yl]ethyl] ester Formula: C19H22BrNO4 MolecularWeight: 408.28628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)COC)C)C(=O)COC(=O)C2=CC=CC=C2Br

Isomeric SMILES

CC1=CC(=C(N1[C@H](C)COC)C)C(=O)COC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C19H22BrNO4/c1-12-9-16(14(3)21(12)13(2)10-24-4)18(22)11-25-19(23)15-7-5-6-8-17(15)20/h5-9,13H,10-11H2,1-4H3/t13-/m1/s1