4-[1-cyano-2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethenyl]benzoic acid

Systemtic Name: 4-[1-cyano-2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethenyl]benzoic acid Openeye Name: 4-[1-cyano-2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)vinyl]benzoic acid CAS Name: 4-[1-cyano-2-(2,5-dimethyl-1-phenyl-3-pyrrolyl)ethenyl]benzoic acid IUPAC Name: 4-[1-cyano-2-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethenyl]benzoic acid Traditional Name: 4-[1-cyano-2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)vinyl]benzoic acid Formula: C22H18N2O2 MolecularWeight: 342.39052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N2O2/c1-15-12-19(16(2)24(15)21-6-4-3-5-7-21)13-20(14-23)17-8-10-18(11-9-17)22(25)26/h3-13H,1-2H3,(H,25,26)