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

Systemtic Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-fluorophenyl)methyl N-hexylcarbamate Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-fluorophenyl)methyl N-hexylcarbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-hexylcarbamic acid (4-fluorophenyl)methyl ester IUPAC Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-fluorophenyl)methyl N-hexylcarbamate Traditional Name: 2-ethoxy-3-p-phenetyl-propionic acid; N-hexylcarbamic acid (4-fluorobenzyl) ester Formula: C27H38FNO6 MolecularWeight: 491.592123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20FNO2.C13H18O4/c1-2-3-4-5-10-16-14(17)18-11-12-6-8-13(15)9-7-12;1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2/h6-9H,2-5,10-11H2,1H3,(H,16,17);5-8,12H,3-4,9H2,1-2H3,(H,14,15)