[2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl] 3-(1-phenylpyrazol-4-yl)propanoate

Systemtic Name: [2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl] 3-(1-phenylpyrazol-4-yl)propanoate Openeye Name: [2-(2,5-dimethoxyphenyl)-2-oxo-ethyl] 3-(1-phenylpyrazol-4-yl)propanoate CAS Name: 3-(1-phenyl-4-pyrazolyl)propanoic acid [2-(2,5-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate Traditional Name: 3-(1-phenylpyrazol-4-yl)propionic acid [2-(2,5-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(=O)COC(=O)CCC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(=O)COC(=O)CCC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H22N2O5/c1-27-18-9-10-21(28-2)19(12-18)20(25)15-29-22(26)11-8-16-13-23-24(14-16)17-6-4-3-5-7-17/h3-7,9-10,12-14H,8,11,15H2,1-2H3