(4-ethanoylphenyl) (E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-prop-2-enoate

Systemtic Name: (4-ethanoylphenyl) (E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-prop-2-enoate Openeye Name: (4-acetylphenyl) (E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-prop-2-enoate CAS Name: (E)-3-(1-butyl-2,5-dimethyl-3-pyrrolyl)-2-cyano-2-propenoic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) (E)-3-(1-butyl-2,5-dimethylpyrrol-3-yl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-acrylic acid (4-acetylphenyl) ester Formula: C22H24N2O3 MolecularWeight: 364.43756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CC(=C1C)C=C(C#N)C(=O)OC2=CC=C(C=C2)C(=O)C)C

Isomeric SMILES

CCCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)OC2=CC=C(C=C2)C(=O)C)C

InChI

InChI=1S/C22H24N2O3/c1-5-6-11-24-15(2)12-19(16(24)3)13-20(14-23)22(26)27-21-9-7-18(8-10-21)17(4)25/h7-10,12-13H,5-6,11H2,1-4H3/b20-13+