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

Systemtic Name: (E)-3-[1-[[4-(2-cyanophenyl)phenyl]methyl]-5-propyl-pyrrol-3-yl]prop-2-enoate Openeye Name: (E)-3-[1-[[4-(2-cyanophenyl)phenyl]methyl]-5-propyl-pyrrol-3-yl]prop-2-enoate CAS Name: (E)-3-[1-[[4-(2-cyanophenyl)phenyl]methyl]-5-propyl-3-pyrrolyl]-2-propenoate IUPAC Name: (E)-3-[1-[[4-(2-cyanophenyl)phenyl]methyl]-5-propylpyrrol-3-yl]prop-2-enoate Traditional Name: (E)-3-[1-[4-(2-cyanophenyl)benzyl]-5-propyl-pyrrol-3-yl]acrylate Formula: C24H21N2O2- MolecularWeight: 369.43574

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CN1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)C=CC(=O)[O-]

Isomeric SMILES

CCCC1=CC(=CN1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)/C=C/C(=O)[O-]

InChI

InChI=1S/C24H22N2O2/c1-2-5-22-14-19(10-13-24(27)28)17-26(22)16-18-8-11-20(12-9-18)23-7-4-3-6-21(23)15-25/h3-4,6-14,17H,2,5,16H2,1H3,(H,27,28)/p-1/b13-10+