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

Systemtic Name: 4-[[4-(3-methanoyl-2,5-dimethyl-pyrrol-1-yl)phenoxy]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(3-formyl-2,5-dimethyl-pyrrol-1-yl)phenoxy]methyl]benzonitrile CAS Name: 4-[[4-(3-formyl-2,5-dimethyl-1-pyrrolyl)phenoxy]methyl]benzonitrile IUPAC Name: 4-[[4-(3-formyl-2,5-dimethylpyrrol-1-yl)phenoxy]methyl]benzonitrile Traditional Name: 4-[[4-(3-formyl-2,5-dimethyl-pyrrol-1-yl)phenoxy]methyl]benzonitrile Formula: C21H18N2O2 MolecularWeight: 330.37982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)OCC3=CC=C(C=C3)C#N)C)C=O

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)OCC3=CC=C(C=C3)C#N)C)C=O

InChI

InChI=1S/C21H18N2O2/c1-15-11-19(13-24)16(2)23(15)20-7-9-21(10-8-20)25-14-18-5-3-17(12-22)4-6-18/h3-11,13H,14H2,1-2H3