[2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)amino]ethyl] 1,3-diphenylpyrazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)amino]ethyl] 1,3-diphenylpyrazole-4-carboxylate Openeye Name: [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 1,3-diphenylpyrazole-4-carboxylate CAS Name: 1,3-diphenyl-4-pyrazolecarboxylic acid [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] ester IUPAC Name: [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 1,3-diphenylpyrazole-4-carboxylate Traditional Name: 1,3-diphenylpyrazole-4-carboxylic acid [2-keto-2-(3,4,5-trimethoxyanilino)ethyl] ester Formula: C27H25N3O6 MolecularWeight: 487.5039

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)COC(=O)C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)COC(=O)C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H25N3O6/c1-33-22-14-19(15-23(34-2)26(22)35-3)28-24(31)17-36-27(32)21-16-30(20-12-8-5-9-13-20)29-25(21)18-10-6-4-7-11-18/h4-16H,17H2,1-3H3,(H,28,31)