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

Systemtic Name: 4-[1-cyano-2-[2,5-dimethyl-1-(4-methylpyridin-2-yl)pyrrol-3-yl]ethenyl]benzoic acid Openeye Name: 4-[1-cyano-2-[2,5-dimethyl-1-(4-methyl-2-pyridyl)pyrrol-3-yl]vinyl]benzoic acid CAS Name: 4-[1-cyano-2-[2,5-dimethyl-1-(4-methyl-2-pyridinyl)-3-pyrrolyl]ethenyl]benzoic acid IUPAC Name: 4-[1-cyano-2-[2,5-dimethyl-1-(4-methylpyridin-2-yl)pyrrol-3-yl]ethenyl]benzoic acid Traditional Name: 4-[1-cyano-2-[2,5-dimethyl-1-(4-methyl-2-pyridyl)pyrrol-3-yl]vinyl]benzoic acid Formula: C22H19N3O2 MolecularWeight: 357.40516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)N2C(=CC(=C2C)C=C(C#N)C3=CC=C(C=C3)C(=O)O)C

Isomeric SMILES

CC1=CC(=NC=C1)N2C(=CC(=C2C)C=C(C#N)C3=CC=C(C=C3)C(=O)O)C

InChI

InChI=1S/C22H19N3O2/c1-14-8-9-24-21(10-14)25-15(2)11-19(16(25)3)12-20(13-23)17-4-6-18(7-5-17)22(26)27/h4-12H,1-3H3,(H,26,27)