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

Systemtic Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-fluorophenyl)methyl N-(4-methylpentyl)carbamate Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-fluorophenyl)methyl N-isohexylcarbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-(4-methylpentyl)carbamic acid (4-fluorophenyl)methyl ester IUPAC Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (4-fluorophenyl)methyl N-(4-methylpentyl)carbamate Traditional Name: 2-ethoxy-3-p-phenetyl-propionic acid; N-isohexylcarbamic acid (4-fluorobenzyl) ester Formula: C27H38FNO6 MolecularWeight: 491.592123

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(C(=O)O)OCC.CC(C)CCCNC(=O)OCC1=CC=C(C=C1)F

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(C(=O)O)OCC.CC(C)CCCNC(=O)OCC1=CC=C(C=C1)F

InChI

InChI=1S/C14H20FNO2.C13H18O4/c1-11(2)4-3-9-16-14(17)18-10-12-5-7-13(15)8-6-12;1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2/h5-8,11H,3-4,9-10H2,1-2H3,(H,16,17);5-8,12H,3-4,9H2,1-2H3,(H,14,15)