[1-[2-(2-hydroxyethyl)-5-(2-methoxy-2-oxidanylidene-ethyl)-4-phenyl-pyrazol-3-yl]-2-methoxy-2-oxidanylidene-ethyl] benzoate

Systemtic Name: [1-[2-(2-hydroxyethyl)-5-(2-methoxy-2-oxidanylidene-ethyl)-4-phenyl-pyrazol-3-yl]-2-methoxy-2-oxidanylidene-ethyl] benzoate Openeye Name: [1-[2-(2-hydroxyethyl)-5-(2-methoxy-2-oxo-ethyl)-4-phenyl-pyrazol-3-yl]-2-methoxy-2-oxo-ethyl] benzoate CAS Name: benzoic acid [1-[2-(2-hydroxyethyl)-5-(2-methoxy-2-oxoethyl)-4-phenyl-3-pyrazolyl]-2-methoxy-2-oxoethyl] ester IUPAC Name: [1-[2-(2-hydroxyethyl)-5-(2-methoxy-2-oxoethyl)-4-phenylpyrazol-3-yl]-2-methoxy-2-oxoethyl] benzoate Traditional Name: benzoic acid [1-[2-(2-hydroxyethyl)-5-(2-keto-2-methoxy-ethyl)-4-phenyl-pyrazol-3-yl]-2-keto-2-methoxy-ethyl] ester Formula: C24H24N2O7 MolecularWeight: 452.45656

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=NN(C(=C1C2=CC=CC=C2)C(C(=O)OC)OC(=O)C3=CC=CC=C3)CCO

Isomeric SMILES

COC(=O)CC1=NN(C(=C1C2=CC=CC=C2)C(C(=O)OC)OC(=O)C3=CC=CC=C3)CCO

InChI

InChI=1S/C24H24N2O7/c1-31-19(28)15-18-20(16-9-5-3-6-10-16)21(26(25-18)13-14-27)22(24(30)32-2)33-23(29)17-11-7-4-8-12-17/h3-12,22,27H,13-15H2,1-2H3