[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(2,6-dimethylanilino)-2-oxo-ethyl] 3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(4-methoxyphenyl)-1-phenyl-4-pyrazolecarboxylic acid [2-(2,6-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylanilino)-2-oxoethyl] 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylic acid [2-(2,6-dimethylanilino)-2-keto-ethyl] ester Formula: C27H25N3O4 MolecularWeight: 455.5051

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)COC(=O)C2=CN(N=C2C3=CC=C(C=C3)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)COC(=O)C2=CN(N=C2C3=CC=C(C=C3)OC)C4=CC=CC=C4

InChI

InChI=1S/C27H25N3O4/c1-18-8-7-9-19(2)25(18)28-24(31)17-34-27(32)23-16-30(21-10-5-4-6-11-21)29-26(23)20-12-14-22(33-3)15-13-20/h4-16H,17H2,1-3H3,(H,28,31)