[2-[1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-fluoranyl-4-methyl-benzoate

Systemtic Name: [2-[1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-fluoranyl-4-methyl-benzoate Openeye Name: [2-[1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 3-fluoro-4-methyl-benzoate CAS Name: 3-fluoro-4-methylbenzoic acid [2-[1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 3-fluoro-4-methylbenzoate Traditional Name: 3-fluoro-4-methyl-benzoic acid [2-keto-2-[1-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2,5-dimethyl-pyrrol-3-yl]ethyl] ester Formula: C27H26FN3O4 MolecularWeight: 475.511443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)C2=C(N(C(=C2)C)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)C2=C(N(C(=C2)C)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C)C)F

InChI

InChI=1S/C27H26FN3O4/c1-16-11-12-20(14-23(16)28)27(34)35-15-24(32)22-13-17(2)30(18(22)3)25-19(4)29(5)31(26(25)33)21-9-7-6-8-10-21/h6-14H,15H2,1-5H3