(E)-3-[4-(4-imidazol-1-ylphenyl)carbonyl-1-methyl-pyrrol-2-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-(4-imidazol-1-ylphenyl)carbonyl-1-methyl-pyrrol-2-yl]prop-2-enoic acid Openeye Name: (E)-3-[4-(4-imidazol-1-ylbenzoyl)-1-methyl-pyrrol-2-yl]prop-2-enoic acid CAS Name: (E)-3-[4-[[4-(1-imidazolyl)phenyl]-oxomethyl]-1-methyl-2-pyrrolyl]-2-propenoic acid IUPAC Name: (E)-3-[4-(4-imidazol-1-ylbenzoyl)-1-methylpyrrol-2-yl]prop-2-enoic acid Traditional Name: (E)-3-[4-(4-imidazol-1-ylbenzoyl)-1-methyl-pyrrol-2-yl]acrylic acid Formula: C18H15N3O3 MolecularWeight: 321.33

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C=CC(=O)O)C(=O)C2=CC=C(C=C2)N3C=CN=C3

Isomeric SMILES

CN1C=C(C=C1/C=C/C(=O)O)C(=O)C2=CC=C(C=C2)N3C=CN=C3

InChI

InChI=1S/C18H15N3O3/c1-20-11-14(10-16(20)6-7-17(22)23)18(24)13-2-4-15(5-3-13)21-9-8-19-12-21/h2-12H,1H3,(H,22,23)/b7-6+