[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 2-phenoxybutanoate

Systemtic Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 2-phenoxybutanoate Openeye Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl] 2-phenoxybutanoate CAS Name: 2-phenoxybutanoic acid [2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-phenoxybutanoate Traditional Name: 2-phenoxybutyric acid [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-keto-ethyl] ester Formula: C23H25N3O4 MolecularWeight: 407.4623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC(=O)NC1=C(N(N=C1C)C2=CC=CC=C2)C)OC3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)OCC(=O)NC1=C(N(N=C1C)C2=CC=CC=C2)C)OC3=CC=CC=C3

InChI

InChI=1S/C23H25N3O4/c1-4-20(30-19-13-9-6-10-14-19)23(28)29-15-21(27)24-22-16(2)25-26(17(22)3)18-11-7-5-8-12-18/h5-14,20H,4,15H2,1-3H3,(H,24,27)