2-[(3-fluorophenyl)methyl]-1-(2-methylpropyl)-9H-xanthene-9-carboxylate

Systemtic Name: 2-[(3-fluorophenyl)methyl]-1-(2-methylpropyl)-9H-xanthene-9-carboxylate Openeye Name: 2-[(3-fluorophenyl)methyl]-1-isobutyl-9H-xanthene-9-carboxylate CAS Name: 2-[(3-fluorophenyl)methyl]-1-(2-methylpropyl)-9H-xanthene-9-carboxylate IUPAC Name: 2-[(3-fluorophenyl)methyl]-1-(2-methylpropyl)-9H-xanthene-9-carboxylate Traditional Name: 2-(3-fluorobenzyl)-1-isobutyl-9H-xanthene-9-carboxylate Formula: C25H22FO3- MolecularWeight: 389.438783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C=CC2=C1C(C3=CC=CC=C3O2)C(=O)[O-])CC4=CC(=CC=C4)F

Isomeric SMILES

CC(C)CC1=C(C=CC2=C1C(C3=CC=CC=C3O2)C(=O)[O-])CC4=CC(=CC=C4)F

InChI

InChI=1S/C25H23FO3/c1-15(2)12-20-17(13-16-6-5-7-18(26)14-16)10-11-22-23(20)24(25(27)28)19-8-3-4-9-21(19)29-22/h3-11,14-15,24H,12-13H2,1-2H3,(H,27,28)/p-1