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

Systemtic Name: 4-[(E)-1-cyano-2-[1-(4-dimethylaminophenyl)-2,5-dimethyl-pyrrol-3-yl]ethenyl]benzoic acid Openeye Name: 4-[(E)-1-cyano-2-[1-(4-dimethylaminophenyl)-2,5-dimethyl-pyrrol-3-yl]vinyl]benzoic acid CAS Name: 4-[(E)-1-cyano-2-[1-(4-dimethylaminophenyl)-2,5-dimethyl-3-pyrrolyl]ethenyl]benzoic acid IUPAC Name: 4-[(E)-1-cyano-2-[1-(4-dimethylaminophenyl)-2,5-dimethylpyrrol-3-yl]ethenyl]benzoic acid Traditional Name: 4-[(E)-1-cyano-2-[1-(4-dimethylaminophenyl)-2,5-dimethyl-pyrrol-3-yl]vinyl]benzoic acid Formula: C24H23N3O2 MolecularWeight: 385.45832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3O2/c1-16-13-20(14-21(15-25)18-5-7-19(8-6-18)24(28)29)17(2)27(16)23-11-9-22(10-12-23)26(3)4/h5-14H,1-4H3,(H,28,29)/b21-14-