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

Systemtic Name: 4-[1-cyano-2-[1-(3-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]ethenyl]benzoic acid Openeye Name: 4-[1-cyano-2-[1-(3-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]vinyl]benzoic acid CAS Name: 4-[1-cyano-2-[1-(3-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]ethenyl]benzoic acid IUPAC Name: 4-[1-cyano-2-[1-(3-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]ethenyl]benzoic acid Traditional Name: 4-[1-cyano-2-[1-(3-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]vinyl]benzoic acid Formula: C23H20N2O3 MolecularWeight: 372.4165

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N2O3/c1-15-11-19(16(2)25(15)21-5-4-6-22(13-21)28-3)12-20(14-24)17-7-9-18(10-8-17)23(26)27/h4-13H,1-3H3,(H,26,27)