2-[2-[3-(2,5-dimethylpyrrol-1-yl)phenyl]ethynyl]-3,5-dimethyl-imidazole-4-carboxylic acid

Systemtic Name: 2-[2-[3-(2,5-dimethylpyrrol-1-yl)phenyl]ethynyl]-3,5-dimethyl-imidazole-4-carboxylic acid Openeye Name: 2-[2-[3-(2,5-dimethylpyrrol-1-yl)phenyl]ethynyl]-3,5-dimethyl-imidazole-4-carboxylic acid CAS Name: 2-[2-[3-(2,5-dimethyl-1-pyrrolyl)phenyl]ethynyl]-3,5-dimethyl-4-imidazolecarboxylic acid IUPAC Name: 2-[2-[3-(2,5-dimethylpyrrol-1-yl)phenyl]ethynyl]-3,5-dimethylimidazole-4-carboxylic acid Traditional Name: 2-[2-[3-(2,5-dimethylpyrrol-1-yl)phenyl]ethynyl]-3,5-dimethyl-imidazole-4-carboxylic acid Formula: C20H19N3O2 MolecularWeight: 333.38376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=CC(=C2)C#CC3=NC(=C(N3C)C(=O)O)C)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=CC(=C2)C#CC3=NC(=C(N3C)C(=O)O)C)C

InChI

InChI=1S/C20H19N3O2/c1-13-8-9-14(2)23(13)17-7-5-6-16(12-17)10-11-18-21-15(3)19(20(24)25)22(18)4/h5-9,12H,1-4H3,(H,24,25)