4-[(2,4-dimethyl-3-octadecanoyl-pyrrol-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[(2,4-dimethyl-3-octadecanoyl-pyrrol-1-yl)methyl]benzenecarbonitrile Openeye Name: 4-[(2,4-dimethyl-3-octadecanoyl-pyrrol-1-yl)methyl]benzonitrile CAS Name: 4-[[2,4-dimethyl-3-(1-oxooctadecyl)-1-pyrrolyl]methyl]benzonitrile IUPAC Name: 4-[(2,4-dimethyl-3-octadecanoylpyrrol-1-yl)methyl]benzonitrile Traditional Name: 4-[(2,4-dimethyl-3-stearoyl-pyrrol-1-yl)methyl]benzonitrile Formula: C32H48N2O MolecularWeight: 476.73632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C1=C(N(C=C1C)CC2=CC=C(C=C2)C#N)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C1=C(N(C=C1C)CC2=CC=C(C=C2)C#N)C

InChI

InChI=1S/C32H48N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-31(35)32-27(2)25-34(28(32)3)26-30-22-20-29(24-33)21-23-30/h20-23,25H,4-19,26H2,1-3H3