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

Systemtic Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-fluorophenyl)methyl N-(3-phenylsulfanylpropyl)carbamate Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-fluorophenyl)methyl N-(3-phenylsulfanylpropyl)carbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-[3-(phenylthio)propyl]carbamic acid (4-fluorophenyl)methyl ester IUPAC Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-fluorophenyl)methyl N-(3-phenylsulfanylpropyl)carbamate Traditional Name: 2-ethoxy-3-p-phenetyl-propionic acid; N-[3-(phenylthio)propyl]carbamic acid (4-fluorobenzyl) ester Formula: C30H36FNO6S MolecularWeight: 557.673343

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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)SCCCNC(=O)OCC2=CC=C(C=C2)F

Isomeric SMILES

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

InChI

InChI=1S/C17H18FNO2S.C13H18O4/c18-15-9-7-14(8-10-15)13-21-17(20)19-11-4-12-22-16-5-2-1-3-6-16;1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2/h1-3,5-10H,4,11-13H2,(H,19,20);5-8,12H,3-4,9H2,1-2H3,(H,14,15)