2-ethoxy-3-[4-(4-ethylhexoxy)phenyl]propanoic acid; (2-fluorophenyl) carbamate

Systemtic Name: 2-ethoxy-3-[4-(4-ethylhexoxy)phenyl]propanoic acid; (2-fluorophenyl) carbamate Openeye Name: 2-ethoxy-3-[4-(4-ethylhexoxy)phenyl]propanoic acid; (2-fluorophenyl) carbamate CAS Name: carbamic acid (2-fluorophenyl) ester; 2-ethoxy-3-[4-(4-ethylhexoxy)phenyl]propanoic acid IUPAC Name: 2-ethoxy-3-[4-(4-ethylhexoxy)phenyl]propanoic acid; (2-fluorophenyl) carbamate Traditional Name: carbamic acid (2-fluorophenyl) ester; 2-ethoxy-3-[4-(4-ethylhexoxy)phenyl]propionic acid Formula: C26H36FNO6 MolecularWeight: 477.565543

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CCCOC1=CC=C(C=C1)CC(C(=O)O)OCC.C1=CC=C(C(=C1)OC(=O)N)F

Isomeric SMILES

CCC(CC)CCCOC1=CC=C(C=C1)CC(C(=O)O)OCC.C1=CC=C(C(=C1)OC(=O)N)F

InChI

InChI=1S/C19H30O4.C7H6FNO2/c1-4-15(5-2)8-7-13-23-17-11-9-16(10-12-17)14-18(19(20)21)22-6-3;8-5-3-1-2-4-6(5)11-7(9)10/h9-12,15,18H,4-8,13-14H2,1-3H3,(H,20,21);1-4H,(H2,9,10)