2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-fluorophenyl)methyl N-octylcarbamate

Systemtic Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-fluorophenyl)methyl N-octylcarbamate Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-fluorophenyl)methyl N-octylcarbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-octylcarbamic acid (4-fluorophenyl)methyl ester IUPAC Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-fluorophenyl)methyl N-octylcarbamate Traditional Name: 2-ethoxy-3-p-phenetyl-propionic acid; N-octylcarbamic acid (4-fluorobenzyl) ester Formula: C29H42FNO6 MolecularWeight: 519.645283

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)OCC1=CC=C(C=C1)F.CCOC1=CC=C(C=C1)CC(C(=O)O)OCC

Isomeric SMILES

CCCCCCCCNC(=O)OCC1=CC=C(C=C1)F.CCOC1=CC=C(C=C1)CC(C(=O)O)OCC

InChI

InChI=1S/C16H24FNO2.C13H18O4/c1-2-3-4-5-6-7-12-18-16(19)20-13-14-8-10-15(17)11-9-14;1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2/h8-11H,2-7,12-13H2,1H3,(H,18,19);5-8,12H,3-4,9H2,1-2H3,(H,14,15)