[2-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methylamino]-2-oxidanylidene-ethyl] 1-benzofuran-2-carboxylate

Systemtic Name: [2-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methylamino]-2-oxidanylidene-ethyl] 1-benzofuran-2-carboxylate Openeye Name: [2-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methylamino]-2-oxo-ethyl] benzofuran-2-carboxylate CAS Name: 2-benzofurancarboxylic acid [2-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl] 1-benzofuran-2-carboxylate Traditional Name: coumarilic acid [2-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methylamino]-2-keto-ethyl] ester Formula: C24H23N3O4 MolecularWeight: 417.45712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)COC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)COC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C24H23N3O4/c1-16-20(17(2)27(26-16)14-18-8-4-3-5-9-18)13-25-23(28)15-30-24(29)22-12-19-10-6-7-11-21(19)31-22/h3-12H,13-15H2,1-2H3,(H,25,28)