3-(4-acetyloxyphenyl)-2-(2,5-dimethylpyrrol-1-yl)propanoic acid

Systemtic Name: 3-(4-acetyloxyphenyl)-2-(2,5-dimethylpyrrol-1-yl)propanoic acid Openeye Name: 3-(4-acetoxyphenyl)-2-(2,5-dimethylpyrrol-1-yl)propanoic acid CAS Name: 3-(4-acetyloxyphenyl)-2-(2,5-dimethyl-1-pyrrolyl)propanoic acid IUPAC Name: 3-(4-acetyloxyphenyl)-2-(2,5-dimethylpyrrol-1-yl)propanoic acid Traditional Name: 3-(4-acetoxyphenyl)-2-(2,5-dimethylpyrrol-1-yl)propionic acid Formula: C17H19NO4 MolecularWeight: 301.33706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C(CC2=CC=C(C=C2)OC(=O)C)C(=O)O)C

Isomeric SMILES

CC1=CC=C(N1C(CC2=CC=C(C=C2)OC(=O)C)C(=O)O)C

InChI

InChI=1S/C17H19NO4/c1-11-4-5-12(2)18(11)16(17(20)21)10-14-6-8-15(9-7-14)22-13(3)19/h4-9,16H,10H2,1-3H3,(H,20,21)