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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC=NOC(C1=CC=C(C=C1)C(=O)OC(C)(C)C)C2=C(N(N=C2C)C)OC3=CC=CC=C3

Isomeric SMILES

C/C=N/OC(C1=CC=C(C=C1)C(=O)OC(C)(C)C)C2=C(N(N=C2C)C)OC3=CC=CC=C3

InChI

InChI=1S/C25H29N3O4/c1-7-26-32-22(18-13-15-19(16-14-18)24(29)31-25(3,4)5)21-17(2)27-28(6)23(21)30-20-11-9-8-10-12-20/h7-16,22H,1-6H3/b26-7+