2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; phenyl N-(2-pentoxyethyl)carbamate

Systemtic Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; phenyl N-(2-pentoxyethyl)carbamate Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; phenyl N-(2-pentoxyethyl)carbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-(2-pentoxyethyl)carbamic acid phenyl ester IUPAC Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; phenyl N-(2-pentoxyethyl)carbamate Traditional Name: N-(2-amoxyethyl)carbamic acid phenyl ester; 2-ethoxy-3-p-phenetyl-propionic acid Formula: C27H39NO7 MolecularWeight: 489.60106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOCCNC(=O)OC1=CC=CC=C1.CCOC1=CC=C(C=C1)CC(C(=O)O)OCC

Isomeric SMILES

CCCCCOCCNC(=O)OC1=CC=CC=C1.CCOC1=CC=C(C=C1)CC(C(=O)O)OCC

InChI

InChI=1S/C14H21NO3.C13H18O4/c1-2-3-7-11-17-12-10-15-14(16)18-13-8-5-4-6-9-13;1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2/h4-6,8-9H,2-3,7,10-12H2,1H3,(H,15,16);5-8,12H,3-4,9H2,1-2H3,(H,14,15)