[3-[(4-fluorophenyl)methyl]-4-methyl-2-oxidanylidene-chromen-7-yl] 2,2-dimethylpropanoate

Systemtic Name: [3-[(4-fluorophenyl)methyl]-4-methyl-2-oxidanylidene-chromen-7-yl] 2,2-dimethylpropanoate Openeye Name: [3-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-chromen-7-yl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [3-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-[(4-fluorophenyl)methyl]-4-methyl-2-oxochromen-7-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [3-(4-fluorobenzyl)-2-keto-4-methyl-chromen-7-yl] ester Formula: C22H21FO4 MolecularWeight: 368.398143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OC(=O)C(C)(C)C)CC3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OC(=O)C(C)(C)C)CC3=CC=C(C=C3)F

InChI

InChI=1S/C22H21FO4/c1-13-17-10-9-16(26-21(25)22(2,3)4)12-19(17)27-20(24)18(13)11-14-5-7-15(23)8-6-14/h5-10,12H,11H2,1-4H3