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

Systemtic Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (3-fluorophenyl) N-(4-methylpentyl)carbamate Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (3-fluorophenyl) N-isohexylcarbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-(4-methylpentyl)carbamic acid (3-fluorophenyl) ester IUPAC Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (3-fluorophenyl) N-(4-methylpentyl)carbamate Traditional Name: 2-ethoxy-3-p-phenetyl-propionic acid; N-isohexylcarbamic acid (3-fluorophenyl) ester Formula: C26H36FNO6 MolecularWeight: 477.565543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(C(=O)O)OCC.CC(C)CCCNC(=O)OC1=CC(=CC=C1)F

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(C(=O)O)OCC.CC(C)CCCNC(=O)OC1=CC(=CC=C1)F

InChI

InChI=1S/C13H18FNO2.C13H18O4/c1-10(2)5-4-8-15-13(16)17-12-7-3-6-11(14)9-12;1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2/h3,6-7,9-10H,4-5,8H2,1-2H3,(H,15,16);5-8,12H,3-4,9H2,1-2H3,(H,14,15)