(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(4-fluorophenyl)-1-phenyl-4-pyrazolecarboxylic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-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-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C28H21FN2O4 MolecularWeight: 468.475743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CN(N=C3C4=CC=C(C=C4)F)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CN(N=C3C4=CC=C(C=C4)F)C5=CC=CC=C5)C

InChI

InChI=1S/C28H21FN2O4/c1-17-8-13-23-20(14-25(32)35-27(23)18(17)2)16-34-28(33)24-15-31(22-6-4-3-5-7-22)30-26(24)19-9-11-21(29)12-10-19/h3-15H,16H2,1-2H3