(E)-3-[1-(2,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[1-(2,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoic acid Openeye Name: (E)-3-[1-(2,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoic acid CAS Name: (E)-3-[1-(2,4-dimethylphenyl)-2,5-dimethyl-3-pyrrolyl]-2-propenoic acid IUPAC Name: (E)-3-[1-(2,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoic acid Traditional Name: (E)-3-[1-(2,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]acrylic acid Formula: C17H19NO2 MolecularWeight: 269.33826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=CC(=C2C)C=CC(=O)O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=CC(=C2C)/C=C/C(=O)O)C)C

InChI

InChI=1S/C17H19NO2/c1-11-5-7-16(12(2)9-11)18-13(3)10-15(14(18)4)6-8-17(19)20/h5-10H,1-4H3,(H,19,20)/b8-6+