(E)-3-[1-[[4-(2-cyanophenyl)phenyl]methyl]-5-hexyl-pyrrol-3-yl]prop-2-enoate

Systemtic Name: (E)-3-[1-[[4-(2-cyanophenyl)phenyl]methyl]-5-hexyl-pyrrol-3-yl]prop-2-enoate Openeye Name: (E)-3-[1-[[4-(2-cyanophenyl)phenyl]methyl]-5-hexyl-pyrrol-3-yl]prop-2-enoate CAS Name: (E)-3-[1-[[4-(2-cyanophenyl)phenyl]methyl]-5-hexyl-3-pyrrolyl]-2-propenoate IUPAC Name: (E)-3-[1-[[4-(2-cyanophenyl)phenyl]methyl]-5-hexylpyrrol-3-yl]prop-2-enoate Traditional Name: (E)-3-[1-[4-(2-cyanophenyl)benzyl]-5-hexyl-pyrrol-3-yl]acrylate Formula: C27H27N2O2- MolecularWeight: 411.51548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=CN1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)C=CC(=O)[O-]

Isomeric SMILES

CCCCCCC1=CC(=CN1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)/C=C/C(=O)[O-]

InChI

InChI=1S/C27H28N2O2/c1-2-3-4-5-9-25-17-22(13-16-27(30)31)20-29(25)19-21-11-14-23(15-12-21)26-10-7-6-8-24(26)18-28/h6-8,10-17,20H,2-5,9,19H2,1H3,(H,30,31)/p-1/b16-13+