[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] (2S)-2-(4-bromanylphenoxy)propanoate

Systemtic Name: [2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] (2S)-2-(4-bromanylphenoxy)propanoate Openeye Name: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] (2S)-2-(4-bromophenoxy)propanoate CAS Name: (2S)-2-(4-bromophenoxy)propanoic acid [2-oxo-2-(1,2,5-trimethyl-3-pyrrolyl)ethyl] ester IUPAC Name: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] (2S)-2-(4-bromophenoxy)propanoate Traditional Name: (2S)-2-(4-bromophenoxy)propionic acid [2-keto-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] ester Formula: C18H20BrNO4 MolecularWeight: 394.2597

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)COC(=O)C(C)OC2=CC=C(C=C2)Br

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)COC(=O)[C@H](C)OC2=CC=C(C=C2)Br

InChI

InChI=1S/C18H20BrNO4/c1-11-9-16(12(2)20(11)4)17(21)10-23-18(22)13(3)24-15-7-5-14(19)6-8-15/h5-9,13H,10H2,1-4H3/t13-/m0/s1