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

Systemtic Name: (2-methoxy-2-oxidanylidene-1-phenyl-ethyl) 4-[4-(3-methoxy-3-oxidanylidene-propyl)-3,5-dimethyl-pyrazol-1-yl]benzoate Openeye Name: (2-methoxy-2-oxo-1-phenyl-ethyl) 4-[4-(3-methoxy-3-oxo-propyl)-3,5-dimethyl-pyrazol-1-yl]benzoate CAS Name: 4-[4-(3-methoxy-3-oxopropyl)-3,5-dimethyl-1-pyrazolyl]benzoic acid (2-methoxy-2-oxo-1-phenylethyl) ester IUPAC Name: (2-methoxy-2-oxo-1-phenylethyl) 4-[4-(3-methoxy-3-oxopropyl)-3,5-dimethylpyrazol-1-yl]benzoate Traditional Name: 4-[4-(3-keto-3-methoxy-propyl)-3,5-dimethyl-pyrazol-1-yl]benzoic acid (2-keto-2-methoxy-1-phenyl-ethyl) ester Formula: C25H26N2O6 MolecularWeight: 450.48374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)OC(C3=CC=CC=C3)C(=O)OC)C)CCC(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)OC(C3=CC=CC=C3)C(=O)OC)C)CCC(=O)OC

InChI

InChI=1S/C25H26N2O6/c1-16-21(14-15-22(28)31-3)17(2)27(26-16)20-12-10-19(11-13-20)24(29)33-23(25(30)32-4)18-8-6-5-7-9-18/h5-13,23H,14-15H2,1-4H3