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

Systemtic Name: (E)-3-[1-(3-fluoranyl-4-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoic acid Openeye Name: (E)-3-[1-(3-fluoro-4-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoic acid CAS Name: (E)-3-[1-(3-fluoro-4-methylphenyl)-2,5-dimethyl-3-pyrrolyl]-2-propenoic acid IUPAC Name: (E)-3-[1-(3-fluoro-4-methylphenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoic acid Traditional Name: (E)-3-[1-(3-fluoro-4-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]acrylic acid Formula: C16H16FNO2 MolecularWeight: 273.302143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16FNO2/c1-10-4-6-14(9-15(10)17)18-11(2)8-13(12(18)3)5-7-16(19)20/h4-9H,1-3H3,(H,19,20)/b7-5+