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

Systemtic Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (2-fluorophenyl) N-pentylcarbamate Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (2-fluorophenyl) N-pentylcarbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-pentylcarbamic acid (2-fluorophenyl) ester IUPAC Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (2-fluorophenyl) N-pentylcarbamate Traditional Name: N-amylcarbamic acid (2-fluorophenyl) ester; 2-ethoxy-3-p-phenetyl-propionic acid Formula: C25H34FNO6 MolecularWeight: 463.538963

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)OC1=CC=CC=C1F.CCOC1=CC=C(C=C1)CC(C(=O)O)OCC

Isomeric SMILES

CCCCCNC(=O)OC1=CC=CC=C1F.CCOC1=CC=C(C=C1)CC(C(=O)O)OCC

InChI

InChI=1S/C13H18O4.C12H16FNO2/c1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2;1-2-3-6-9-14-12(15)16-11-8-5-4-7-10(11)13/h5-8,12H,3-4,9H2,1-2H3,(H,14,15);4-5,7-8H,2-3,6,9H2,1H3,(H,14,15)