tert-butyl 4-[[(E)-1-(1,3-dimethyl-5-phenoxy-pyrazol-4-yl)ethylideneamino]oxymethyl]benzoate

Systemtic Name: tert-butyl 4-[[(E)-1-(1,3-dimethyl-5-phenoxy-pyrazol-4-yl)ethylideneamino]oxymethyl]benzoate Openeye Name: tert-butyl 4-[[(E)-1-(1,3-dimethyl-5-phenoxy-pyrazol-4-yl)ethylideneamino]oxymethyl]benzoate CAS Name: 4-[[(E)-1-(1,3-dimethyl-5-phenoxy-4-pyrazolyl)ethylideneamino]oxymethyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[(E)-1-(1,3-dimethyl-5-phenoxypyrazol-4-yl)ethylideneamino]oxymethyl]benzoate Traditional Name: 4-[[(E)-1-(1,3-dimethyl-5-phenoxy-pyrazol-4-yl)ethylideneamino]oxymethyl]benzoic acid tert-butyl ester Formula: C25H29N3O4 MolecularWeight: 435.51546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=NOCC2=CC=C(C=C2)C(=O)OC(C)(C)C)C)OC3=CC=CC=C3)C

Isomeric SMILES

CC1=NN(C(=C1/C(=N/OCC2=CC=C(C=C2)C(=O)OC(C)(C)C)/C)OC3=CC=CC=C3)C

InChI

InChI=1S/C25H29N3O4/c1-17-22(23(28(6)26-17)31-21-10-8-7-9-11-21)18(2)27-30-16-19-12-14-20(15-13-19)24(29)32-25(3,4)5/h7-15H,16H2,1-6H3/b27-18+