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

Systemtic Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (3-fluorophenyl) N-(3-methylbutyl)carbamate Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (3-fluorophenyl) N-isopentylcarbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-(3-methylbutyl)carbamic acid (3-fluorophenyl) ester IUPAC Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (3-fluorophenyl) N-(3-methylbutyl)carbamate Traditional Name: 2-ethoxy-3-p-phenetyl-propionic acid; N-isoamylcarbamic acid (3-fluorophenyl) ester Formula: C25H34FNO6 MolecularWeight: 463.538963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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