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

Systemtic Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-phenoxyphenyl) N-(4-phenylsulfanylbutyl)carbamate Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-phenoxyphenyl) N-(4-phenylsulfanylbutyl)carbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-[4-(phenylthio)butyl]carbamic acid (4-phenoxyphenyl) ester IUPAC Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-phenoxyphenyl) N-(4-phenylsulfanylbutyl)carbamate Traditional Name: 2-ethoxy-3-p-phenetyl-propionic acid; N-[4-(phenylthio)butyl]carbamic acid (4-phenoxyphenyl) ester Formula: C36H41NO7S MolecularWeight: 631.77824

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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)OC2=CC=C(C=C2)OC(=O)NCCCCSC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(C(=O)O)OCC.C1=CC=C(C=C1)OC2=CC=C(C=C2)OC(=O)NCCCCSC3=CC=CC=C3

InChI

InChI=1S/C23H23NO3S.C13H18O4/c25-23(24-17-7-8-18-28-22-11-5-2-6-12-22)27-21-15-13-20(14-16-21)26-19-9-3-1-4-10-19;1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2/h1-6,9-16H,7-8,17-18H2,(H,24,25);5-8,12H,3-4,9H2,1-2H3,(H,14,15)