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

Systemtic Name: (E)-3-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]prop-2-enoic acid Openeye Name: (E)-3-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]prop-2-enoic acid CAS Name: (E)-3-[2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolyl]-2-propenoic acid IUPAC Name: (E)-3-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]prop-2-enoic acid Traditional Name: (E)-3-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]acrylic acid Formula: C16H17NO2 MolecularWeight: 255.31168

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO2/c1-11-4-7-15(8-5-11)17-12(2)10-14(13(17)3)6-9-16(18)19/h4-10H,1-3H3,(H,18,19)/b9-6+