methyl 6-[[3-(2,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]carbonylamino]hexanoate

Systemtic Name: methyl 6-[[3-(2,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]carbonylamino]hexanoate Openeye Name: methyl 6-[[3-(2,4-dimethoxyphenyl)-1-phenyl-pyrazole-4-carbonyl]amino]hexanoate CAS Name: 6-[[[3-(2,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[3-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]hexanoate Traditional Name: 6-[[3-(2,4-dimethoxyphenyl)-1-phenyl-pyrazole-4-carbonyl]amino]hexanoic acid methyl ester Formula: C25H29N3O5 MolecularWeight: 451.51486

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NN(C=C2C(=O)NCCCCCC(=O)OC)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NN(C=C2C(=O)NCCCCCC(=O)OC)C3=CC=CC=C3)OC

InChI

InChI=1S/C25H29N3O5/c1-31-19-13-14-20(22(16-19)32-2)24-21(17-28(27-24)18-10-6-4-7-11-18)25(30)26-15-9-5-8-12-23(29)33-3/h4,6-7,10-11,13-14,16-17H,5,8-9,12,15H2,1-3H3,(H,26,30)