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

Systemtic Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-fluorophenyl)methyl N-(4-phenylsulfanylbutyl)carbamate Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-fluorophenyl)methyl N-(4-phenylsulfanylbutyl)carbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-[4-(phenylthio)butyl]carbamic acid (4-fluorophenyl)methyl ester IUPAC Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-fluorophenyl)methyl N-(4-phenylsulfanylbutyl)carbamate Traditional Name: 2-ethoxy-3-p-phenetyl-propionic acid; N-[4-(phenylthio)butyl]carbamic acid (4-fluorobenzyl) ester Formula: C31H38FNO6S MolecularWeight: 571.699923

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(C(=O)O)OCC.C1=CC=C(C=C1)SCCCCNC(=O)OCC2=CC=C(C=C2)F

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(C(=O)O)OCC.C1=CC=C(C=C1)SCCCCNC(=O)OCC2=CC=C(C=C2)F

InChI

InChI=1S/C18H20FNO2S.C13H18O4/c19-16-10-8-15(9-11-16)14-22-18(21)20-12-4-5-13-23-17-6-2-1-3-7-17;1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2/h1-3,6-11H,4-5,12-14H2,(H,20,21);5-8,12H,3-4,9H2,1-2H3,(H,14,15)