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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=O)OC1=CC=C(C=C1)F.CCOC1=CC=C(C=C1)CC(C(=O)O)OCC

Isomeric SMILES

CCCCCCCNC(=O)OC1=CC=C(C=C1)F.CCOC1=CC=C(C=C1)CC(C(=O)O)OCC

InChI

InChI=1S/C14H20FNO2.C13H18O4/c1-2-3-4-5-6-11-16-14(17)18-13-9-7-12(15)8-10-13;1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2/h7-10H,2-6,11H2,1H3,(H,16,17);5-8,12H,3-4,9H2,1-2H3,(H,14,15)