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

Systemtic Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (3-fluorophenyl) N-(4-phenylsulfanylbutyl)carbamate Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (3-fluorophenyl) N-(4-phenylsulfanylbutyl)carbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-[4-(phenylthio)butyl]carbamic acid (3-fluorophenyl) ester IUPAC Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (3-fluorophenyl) N-(4-phenylsulfanylbutyl)carbamate Traditional Name: 2-ethoxy-3-p-phenetyl-propionic acid; N-[4-(phenylthio)butyl]carbamic acid (3-fluorophenyl) 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)SCCCCNC(=O)OC2=CC(=CC=C2)F

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(C(=O)O)OCC.C1=CC=C(C=C1)SCCCCNC(=O)OC2=CC(=CC=C2)F

InChI

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