(7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(4-fluorophenyl)-1-phenyl-4-pyrazolecarboxylic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxylic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C27H19FN2O4 MolecularWeight: 454.449163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CN(N=C3C4=CC=C(C=C4)F)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CN(N=C3C4=CC=C(C=C4)F)C5=CC=CC=C5

InChI

InChI=1S/C27H19FN2O4/c1-17-7-12-22-19(14-25(31)34-24(22)13-17)16-33-27(32)23-15-30(21-5-3-2-4-6-21)29-26(23)18-8-10-20(28)11-9-18/h2-15H,16H2,1H3