(4-cyanophenyl) 4-(2,5-dimethylpyrrol-1-yl)benzoate

Systemtic Name: (4-cyanophenyl) 4-(2,5-dimethylpyrrol-1-yl)benzoate Openeye Name: (4-cyanophenyl) 4-(2,5-dimethylpyrrol-1-yl)benzoate CAS Name: 4-(2,5-dimethyl-1-pyrrolyl)benzoic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 4-(2,5-dimethylpyrrol-1-yl)benzoate Traditional Name: 4-(2,5-dimethylpyrrol-1-yl)benzoic acid (4-cyanophenyl) ester Formula: C20H16N2O2 MolecularWeight: 316.35324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C20H16N2O2/c1-14-3-4-15(2)22(14)18-9-7-17(8-10-18)20(23)24-19-11-5-16(13-21)6-12-19/h3-12H,1-2H3