[2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)amino]ethyl] 4-(pyrazol-1-ylmethyl)benzoate

Systemtic Name: [2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)amino]ethyl] 4-(pyrazol-1-ylmethyl)benzoate Openeye Name: [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 4-(pyrazol-1-ylmethyl)benzoate CAS Name: 4-(1-pyrazolylmethyl)benzoic acid [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] ester IUPAC Name: [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 4-(pyrazol-1-ylmethyl)benzoate Traditional Name: 4-(pyrazol-1-ylmethyl)benzoic acid [2-keto-2-(3,4,5-trimethoxyanilino)ethyl] ester Formula: C22H23N3O6 MolecularWeight: 425.43452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)COC(=O)C2=CC=C(C=C2)CN3C=CC=N3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)COC(=O)C2=CC=C(C=C2)CN3C=CC=N3

InChI

InChI=1S/C22H23N3O6/c1-28-18-11-17(12-19(29-2)21(18)30-3)24-20(26)14-31-22(27)16-7-5-15(6-8-16)13-25-10-4-9-23-25/h4-12H,13-14H2,1-3H3,(H,24,26)