2-[4-bromanyl-2-(hydroxymethyl)phenoxy]-1-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)ethanone

Systemtic Name: 2-[4-bromanyl-2-(hydroxymethyl)phenoxy]-1-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)ethanone Openeye Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-bromo-2-(hydroxymethyl)phenoxy]ethanone CAS Name: 2-[4-bromo-2-(hydroxymethyl)phenoxy]-1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)ethanone IUPAC Name: 2-[4-bromo-2-(hydroxymethyl)phenoxy]-1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)ethanone Traditional Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-(4-bromo-2-methylol-phenoxy)ethanone Formula: C18H20BrNO3 MolecularWeight: 378.2603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)COC2=C(C=C(C=C2)Br)CO

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)COC2=C(C=C(C=C2)Br)CO

InChI

InChI=1S/C18H20BrNO3/c1-4-7-20-12(2)8-16(13(20)3)17(22)11-23-18-6-5-15(19)9-14(18)10-21/h4-6,8-9,21H,1,7,10-11H2,2-3H3