[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(3,4-dimethoxyanilino)-2-oxo-ethyl] 3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(4-methoxyphenyl)-1-phenyl-4-pyrazolecarboxylic acid [2-(3,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyanilino)-2-oxoethyl] 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylic acid [2-(3,4-dimethoxyanilino)-2-keto-ethyl] ester Formula: C27H25N3O6 MolecularWeight: 487.5039

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)NC3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)NC3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4

InChI

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