2-ethoxy-3-[4-[3-(3-fluoranylphenoxy)-3-oxidanylidene-propoxy]phenyl]propanoic acid; pentan-1-amine

Systemtic Name: 2-ethoxy-3-[4-[3-(3-fluoranylphenoxy)-3-oxidanylidene-propoxy]phenyl]propanoic acid; pentan-1-amine Openeye Name: 2-ethoxy-3-[4-[3-(3-fluorophenoxy)-3-oxo-propoxy]phenyl]propanoic acid; pentan-1-amine CAS Name: 2-ethoxy-3-[4-[3-(3-fluorophenoxy)-3-oxopropoxy]phenyl]propanoic acid; 1-pentanamine IUPAC Name: 2-ethoxy-3-[4-[3-(3-fluorophenoxy)-3-oxopropoxy]phenyl]propanoic acid; pentan-1-amine Traditional Name: amylamine; 2-ethoxy-3-[4-[3-(3-fluorophenoxy)-3-keto-propoxy]phenyl]propionic acid Formula: C25H34FNO6 MolecularWeight: 463.538963

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN.CCOC(CC1=CC=C(C=C1)OCCC(=O)OC2=CC(=CC=C2)F)C(=O)O

Isomeric SMILES

CCCCCN.CCOC(CC1=CC=C(C=C1)OCCC(=O)OC2=CC(=CC=C2)F)C(=O)O

InChI

InChI=1S/C20H21FO6.C5H13N/c1-2-25-18(20(23)24)12-14-6-8-16(9-7-14)26-11-10-19(22)27-17-5-3-4-15(21)13-17;1-2-3-4-5-6/h3-9,13,18H,2,10-12H2,1H3,(H,23,24);2-6H2,1H3