(2-benzamido-2-oxidanylidene-ethyl) 3,5-dimethyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: (2-benzamido-2-oxidanylidene-ethyl) 3,5-dimethyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: (2-benzamido-2-oxo-ethyl) 1-benzyl-3,5-dimethyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid (2-benzamido-2-oxoethyl) ester IUPAC Name: (2-benzamido-2-oxoethyl) 1-benzyl-3,5-dimethylpyrazole-4-carboxylate Traditional Name: 1-benzyl-3,5-dimethyl-pyrazole-4-carboxylic acid (2-benzamido-2-keto-ethyl) ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)OCC(=O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)OCC(=O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H21N3O4/c1-15-20(16(2)25(24-15)13-17-9-5-3-6-10-17)22(28)29-14-19(26)23-21(27)18-11-7-4-8-12-18/h3-12H,13-14H2,1-2H3,(H,23,26,27)