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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC2=C1C(C3=CC=CC=C3O2)C(=O)[O-])CC4=CC(=CC=C4)F

Isomeric SMILES

CCCCC1=C(C=CC2=C1C(C3=CC=CC=C3O2)C(=O)[O-])CC4=CC(=CC=C4)F

InChI

InChI=1S/C25H23FO3/c1-2-3-9-19-17(14-16-7-6-8-18(26)15-16)12-13-22-23(19)24(25(27)28)20-10-4-5-11-21(20)29-22/h4-8,10-13,15,24H,2-3,9,14H2,1H3,(H,27,28)/p-1