2-[[4-[3-(hydroxymethyl)-2,5-dimethyl-pyrrol-1-yl]phenoxy]methyl]benzenecarbonitrile

Systemtic Name: 2-[[4-[3-(hydroxymethyl)-2,5-dimethyl-pyrrol-1-yl]phenoxy]methyl]benzenecarbonitrile Openeye Name: 2-[[4-[3-(hydroxymethyl)-2,5-dimethyl-pyrrol-1-yl]phenoxy]methyl]benzonitrile CAS Name: 2-[[4-[3-(hydroxymethyl)-2,5-dimethyl-1-pyrrolyl]phenoxy]methyl]benzonitrile IUPAC Name: 2-[[4-[3-(hydroxymethyl)-2,5-dimethylpyrrol-1-yl]phenoxy]methyl]benzonitrile Traditional Name: 2-[[4-(2,5-dimethyl-3-methylol-pyrrol-1-yl)phenoxy]methyl]benzonitrile Formula: C21H20N2O2 MolecularWeight: 332.3957

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)OCC3=CC=CC=C3C#N)C)CO

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)OCC3=CC=CC=C3C#N)C)CO

InChI

InChI=1S/C21H20N2O2/c1-15-11-19(13-24)16(2)23(15)20-7-9-21(10-8-20)25-14-18-6-4-3-5-17(18)12-22/h3-11,24H,13-14H2,1-2H3