cyclohexyl 4-[[(E)-(1,3-dimethyl-5-phenoxy-pyrazol-4-yl)methylideneamino]oxymethyl]benzoate

Systemtic Name: cyclohexyl 4-[[(E)-(1,3-dimethyl-5-phenoxy-pyrazol-4-yl)methylideneamino]oxymethyl]benzoate Openeye Name: cyclohexyl 4-[[(E)-(1,3-dimethyl-5-phenoxy-pyrazol-4-yl)methyleneamino]oxymethyl]benzoate CAS Name: 4-[[(E)-(1,3-dimethyl-5-phenoxy-4-pyrazolyl)methylideneamino]oxymethyl]benzoic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-[[(E)-(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylideneamino]oxymethyl]benzoate Traditional Name: 4-[[(E)-(1,3-dimethyl-5-phenoxy-pyrazol-4-yl)methyleneamino]oxymethyl]benzoic acid cyclohexyl ester Formula: C26H29N3O4 MolecularWeight: 447.52616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=NOCC2=CC=C(C=C2)C(=O)OC3CCCCC3)OC4=CC=CC=C4)C

Isomeric SMILES

CC1=NN(C(=C1/C=N/OCC2=CC=C(C=C2)C(=O)OC3CCCCC3)OC4=CC=CC=C4)C

InChI

InChI=1S/C26H29N3O4/c1-19-24(25(29(2)28-19)32-22-9-5-3-6-10-22)17-27-31-18-20-13-15-21(16-14-20)26(30)33-23-11-7-4-8-12-23/h3,5-6,9-10,13-17,23H,4,7-8,11-12,18H2,1-2H3/b27-17+