4-[[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methylamino]-4-oxo-butanoic acid CAS Name: 4-[[3-(2-benzofuranyl)-1-phenyl-4-pyrazolyl]methylamino]-4-oxobutanoic acid IUPAC Name: 4-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylamino]-4-oxobutanoic acid Traditional Name: 4-[[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methylamino]-4-keto-butyric acid Formula: C22H19N3O4 MolecularWeight: 389.40396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4O3)CNC(=O)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4O3)CNC(=O)CCC(=O)O

InChI

InChI=1S/C22H19N3O4/c26-20(10-11-21(27)28)23-13-16-14-25(17-7-2-1-3-8-17)24-22(16)19-12-15-6-4-5-9-18(15)29-19/h1-9,12,14H,10-11,13H2,(H,23,26)(H,27,28)