3-[3-(3-ethoxy-3-oxidanylidene-propyl)-5-[(4-fluorophenyl)methyl]phenyl]propanoic acid

Systemtic Name: 3-[3-(3-ethoxy-3-oxidanylidene-propyl)-5-[(4-fluorophenyl)methyl]phenyl]propanoic acid Openeye Name: 3-[3-(3-ethoxy-3-oxo-propyl)-5-[(4-fluorophenyl)methyl]phenyl]propanoic acid CAS Name: 3-[3-(3-ethoxy-3-oxopropyl)-5-[(4-fluorophenyl)methyl]phenyl]propanoic acid IUPAC Name: 3-[3-(3-ethoxy-3-oxopropyl)-5-[(4-fluorophenyl)methyl]phenyl]propanoic acid Traditional Name: 3-[3-(3-ethoxy-3-keto-propyl)-5-(4-fluorobenzyl)phenyl]propionic acid Formula: C21H23FO4 MolecularWeight: 358.403323

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CC(=CC(=C1)CCC(=O)O)CC2=CC=C(C=C2)F

Isomeric SMILES

CCOC(=O)CCC1=CC(=CC(=C1)CCC(=O)O)CC2=CC=C(C=C2)F

InChI

InChI=1S/C21H23FO4/c1-2-26-21(25)10-6-17-12-16(5-9-20(23)24)13-18(14-17)11-15-3-7-19(22)8-4-15/h3-4,7-8,12-14H,2,5-6,9-11H2,1H3,(H,23,24)