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

Systemtic Name: (2-benzamido-2-oxidanylidene-ethyl) 4-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-3-carboxylate Openeye Name: (2-benzamido-2-oxo-ethyl) 4-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-(3,4-dimethoxyphenyl)-1-phenyl-3-pyrazolecarboxylic acid (2-benzamido-2-oxoethyl) ester IUPAC Name: (2-benzamido-2-oxoethyl) 4-(3,4-dimethoxyphenyl)-1-phenylpyrazole-3-carboxylate Traditional Name: 4-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-3-carboxylic acid (2-benzamido-2-keto-ethyl) ester Formula: C27H23N3O6 MolecularWeight: 485.48802

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CN(N=C2C(=O)OCC(=O)NC(=O)C3=CC=CC=C3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN(N=C2C(=O)OCC(=O)NC(=O)C3=CC=CC=C3)C4=CC=CC=C4)OC

InChI

InChI=1S/C27H23N3O6/c1-34-22-14-13-19(15-23(22)35-2)21-16-30(20-11-7-4-8-12-20)29-25(21)27(33)36-17-24(31)28-26(32)18-9-5-3-6-10-18/h3-16H,17H2,1-2H3,(H,28,31,32)