(2-benzamido-2-oxidanylidene-ethyl) 3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: (2-benzamido-2-oxidanylidene-ethyl) 3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: (2-benzamido-2-oxo-ethyl) 3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(4-methoxyphenyl)-1-phenyl-4-pyrazolecarboxylic acid (2-benzamido-2-oxoethyl) ester IUPAC Name: (2-benzamido-2-oxoethyl) 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylic acid (2-benzamido-2-keto-ethyl) ester Formula: C26H21N3O5 MolecularWeight: 455.46204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H21N3O5/c1-33-21-14-12-18(13-15-21)24-22(16-29(28-24)20-10-6-3-7-11-20)26(32)34-17-23(30)27-25(31)19-8-4-2-5-9-19/h2-16H,17H2,1H3,(H,27,30,31)