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

Systemtic Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 2-(4-phenylmethoxyphenoxy)ethanoate Openeye Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl] 2-(4-benzyloxyphenoxy)acetate CAS Name: 2-(4-phenylmethoxyphenoxy)acetic 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-(4-phenylmethoxyphenoxy)acetate Traditional Name: 2-(4-benzoxyphenoxy)acetic acid [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-keto-ethyl] ester Formula: C28H27N3O5 MolecularWeight: 485.53108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)COC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)COC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C28H27N3O5/c1-20-28(21(2)31(30-20)23-11-7-4-8-12-23)29-26(32)18-36-27(33)19-35-25-15-13-24(14-16-25)34-17-22-9-5-3-6-10-22/h3-16H,17-19H2,1-2H3,(H,29,32)