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

Systemtic Name: (E)-3-[1-[[4-(2-cyanophenyl)phenyl]methyl]-5-ethyl-pyrrol-3-yl]prop-2-enoate Openeye Name: (E)-3-[1-[[4-(2-cyanophenyl)phenyl]methyl]-5-ethyl-pyrrol-3-yl]prop-2-enoate CAS Name: (E)-3-[1-[[4-(2-cyanophenyl)phenyl]methyl]-5-ethyl-3-pyrrolyl]-2-propenoate IUPAC Name: (E)-3-[1-[[4-(2-cyanophenyl)phenyl]methyl]-5-ethylpyrrol-3-yl]prop-2-enoate Traditional Name: (E)-3-[1-[4-(2-cyanophenyl)benzyl]-5-ethyl-pyrrol-3-yl]acrylate Formula: C23H19N2O2- MolecularWeight: 355.40916

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CN1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)C=CC(=O)[O-]

Isomeric SMILES

CCC1=CC(=CN1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)/C=C/C(=O)[O-]

InChI

InChI=1S/C23H20N2O2/c1-2-21-13-18(9-12-23(26)27)16-25(21)15-17-7-10-19(11-8-17)22-6-4-3-5-20(22)14-24/h3-13,16H,2,15H2,1H3,(H,26,27)/p-1/b12-9+