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

Systemtic Name: [2-[(3,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-(1-phenylpyrazol-4-yl)propanoate Openeye Name: [2-(3,5-dimethoxyanilino)-2-oxo-ethyl] 3-(1-phenylpyrazol-4-yl)propanoate CAS Name: 3-(1-phenyl-4-pyrazolyl)propanoic acid [2-(3,5-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethoxyanilino)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate Traditional Name: 3-(1-phenylpyrazol-4-yl)propionic acid [2-(3,5-dimethoxyanilino)-2-keto-ethyl] ester Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O5/c1-28-19-10-17(11-20(12-19)29-2)24-21(26)15-30-22(27)9-8-16-13-23-25(14-16)18-6-4-3-5-7-18/h3-7,10-14H,8-9,15H2,1-2H3,(H,24,26)