(E)-4-[[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methyl-methyl-amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methyl-methyl-amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methyl-methyl-amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[[3-(2-benzofuranyl)-1-phenyl-4-pyrazolyl]methyl-methylamino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methyl-methylamino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methyl-methyl-amino]-4-keto-but-2-enoic acid Formula: C23H19N3O4 MolecularWeight: 401.41466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1C2=CC3=CC=CC=C3O2)C4=CC=CC=C4)C(=O)C=CC(=O)O

Isomeric SMILES

CN(CC1=CN(N=C1C2=CC3=CC=CC=C3O2)C4=CC=CC=C4)C(=O)/C=C/C(=O)O

InChI

InChI=1S/C23H19N3O4/c1-25(21(27)11-12-22(28)29)14-17-15-26(18-8-3-2-4-9-18)24-23(17)20-13-16-7-5-6-10-19(16)30-20/h2-13,15H,14H2,1H3,(H,28,29)/b12-11+